Chemical : (2-Phenylpropyl)hydrazine
Casrn : 875-88-7 |
MolName : (2-Phenylpropyl)hydrazine |
MolecularFormula : C9H14N2 |
Smiles : CC(CNN)c1ccccc1 |
InChI : InChI=1S/C9H14N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3/t8-/m0/s1 |
InChIK : CKEKULWTUGAESO-QMMMGPOBSA-N |
CanonicalSyTyLFy : 638613ea3c146272 |
TotalMolweight : 150.224 |
Molweight : 150.224 |
MonoisotopicMass : 150.115698 |
CLogP : 0.758 |
CLogS : -2.333 |
H Acceptors : 2 |
H Donors : 2 |
TotalSurfaceArea : 131.76 |
Relative PSA : 0.20287 |
PolarSurfaceArea : 38.05 |
Druglikeness : -2.253 |
Mutagenic : low |
Tumorigenic : high |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : hydrazine |
Shape Index : 0.72727 |
Molecula Flexibility : 0.53503 |
Molecular Complexity : 0.57807 |
Fragments : 1 |
Non HAtoms : 11 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
StereoCenters : 1 |
Rotatable Bond : 3 |
Rings Closures : 1 |
Small Rings : 1 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
StereoCon : racemate |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
| 100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
| 1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 |
| 1000-68-6 | none | none | none | C3H9NO3S2 | 171.24 | -3.0843 |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
| 100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 |
| 1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
| 100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
| 10001-43-1 | none | none | none | C15H18N6O2 | 314.348 | 4.1828 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 |
| 1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
| 100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 |
| 100009-23-2 | none | none | high | C17H22 | 226.362 | -9.7346 |
| 100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
| 1000018-26-7 | none | none | none | C16H23NO3 | 277.363 | -15.052 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 100-18-5 | none | none | none | C12H18 | 162.275 | -2.5088 |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 100004-94-2 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
| 1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 |
| 100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
| 1000018-40-5 | low | high | none | C11H16N2O2S | 240.326 | 1.4856 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
| 100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
| 1000018-10-9 | none | none | none | C7H8N2OBr2 | 295.962 | -5.2121 |
| 100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
| 1000160-75-7 | none | none | low | C14H17O2BS | 260.164 | -20.35 |
| 1000339-36-5 | none | none | none | C16H19NO3S | 305.397 | -3.4866 |
| 100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 |
| 1000339-28-5 | none | none | none | C14H8N2OBrCl | 335.588 | -0.59356 |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
| 100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
| 100013-07-8 | none | none | none | C18H32B.Li | 259.263 | -11.013 |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
| 100008-84-2 | none | none | none | C22H14N2O2 | 338.365 | 3.1859 |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
| 1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
| 100020-95-9 | high | none | low | C12H17OCl | 212.719 | -11.962 |
| 10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 100-13-0 | none | none | low | C8H7NO2 | 149.149 | -10.212 |
| 1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 |
| 100005-68-3 | none | none | none | C13H12O4 | 232.234 | -4.9451 |
| 100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 |
| 10003-94-8 | none | none | none | C9H16N2O18P4 | 564.118 | -31.509 |