Chemical : (1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[1-(naphthalen-2-yl)ethan-1-imine]
Casrn : 61484-71-7 |
MolName : (1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[1-(naphthalen-2-yl)ethan-1-imine] |
MolecularFormula : C26H24N2 |
Smiles : C/C(/c1cc2ccccc2cc1)=N\CC/N=C(\C)/c1cc2ccccc2cc1 |
InChI : InChI=1S/C26H24N2/c1-19(23-13-11-21-7-3-5-9-25(21)17-23)27-15-16-28-20(2)24-14-12-22-8-4-6-10-26(22)18-24/h3-14,17-18H,15-16H2,1-2H3/b27-19+,28-20? |
InChIK : RJTKAUGAORARED-UMGWWJHGSA-N |
CanonicalSyTyLFy : f6c3c3edd0539ed |
TotalMolweight : 364.491 |
Molweight : 364.491 |
MonoisotopicMass : 364.193948 |
CLogP : 5.5386 |
CLogS : -7.54 |
H Acceptors : 2 |
TotalSurfaceArea : 300.2 |
Relative PSA : 0.076682 |
PolarSurfaceArea : 24.72 |
Druglikeness : 1.3821 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64286 |
Molecula Flexibility : 0.42919 |
Molecular Complexity : 0.73452 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 4 |
Aromatic Atoms : 20 |
Sp3Atoms : 4 |
Symmetricatoms : 14 |
BasicNitrogens : 2 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
| 100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
| 10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
| 1000-78-8 | high | low | none | C11H24N2 | 184.326 | -10.254 |
| 100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
| 100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
| 100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 1000-16-4 | none | none | none | C13H30NO3P | 279.359 | -34.244 |
| 1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 |
| 1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
| 100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 |
| 1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
| 100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
| 1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
| 100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 |
| 100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
| 1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 |
| 100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
| 1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
| 100021-81-6 | none | none | none | H3O4P.C20H42N2O | 326.566 | -22.282 |
| 1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
| 1000018-40-5 | low | high | none | C11H16N2O2S | 240.326 | 1.4856 |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
| 100-97-0 | high | high | high | C6H12N4 | 140.189 | 1.5849 |
| 1000018-21-2 | none | none | none | C17H25N3O6S | 399.467 | -41.344 |
| 100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
| 1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
| 100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
| 100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 1000160-75-7 | none | none | low | C14H17O2BS | 260.164 | -20.35 |
| 1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 |
| 1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
| 10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
| 100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
| 1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 |
| 1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
| 100-85-6 | none | none | none | HO.C10H16N | 150.244 | -2.6575 |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
| 1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
| 100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 10001-52-2 | high | high | none | C11H10N6O3S | 306.305 | 6.7202 |
2 Click to Load Molecule - (1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[1-(naphthalen-2-yl)ethan-1-imine]
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Dot Surface| Mep | Translucent | Spin | Label On| Off |
|