Chemical : (2S)-2-(4-Fluorophenyl)pyrrolidine--hydrogen chloride (1/1)
Casrn : 1073556-40-7 |
MolName : (2S)-2-(4-Fluorophenyl)pyrrolidine--hydrogen chloride (1/1) |
MolecularFormula : HCl.C10H12NF |
Smiles : Fc1ccc([C@H]2NCCC2)cc1.Cl |
InChI : InChI=1S/C10H12FN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H/t10-;/m0./s1 |
InChIK : WOZFKQCJNIDQPL-PPHPATTJSA-N |
CanonicalSyTyLFy : 93ef0532f628af41 |
TotalMolweight : 201.671 |
Molweight : 165.21 |
MonoisotopicMass : 165.095377 |
CLogP : 2.0195 |
CLogS : -2.263 |
H Acceptors : 1 |
H Donors : 1 |
TotalSurfaceArea : 131.35 |
Relative PSA : 0.087248 |
PolarSurfaceArea : 12.03 |
Druglikeness : -3.4639 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Molecula Flexibility : 0.38951 |
Molecular Complexity : 0.66789 |
Fragments : 2 |
Non HAtoms : 12 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : this enantiomer |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100021-05-4 | none | none | none | C21H28O2 | 312.451 | 0.95307 |
| 100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
| 1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
| 017257-81-7 | none | none | none | C6H10O2 | 114.143 | 0.9106 |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 |
| 1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 |
| 100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
| 100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
| 1000017-92-4 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
| 100019-64-5 | none | none | none | C9H10N2O7FP | 308.157 | -34.083 |
| 100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
| 1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
| 1000269-66-8 | none | none | none | C12H20N4 | 220.319 | 0.5423 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 |
| 100007-55-4 | none | none | none | C35H39O19 | 763.676 | -1.2907 |
| 1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 |
| 1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
| 100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
| 100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
| 1000-67-5 | none | none | high | C4H9O4S.Na | 153.177 | -10.412 |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
| 100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 |
| 1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
| 100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
| 1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
| 1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 100-07-2 | high | high | low | C8H7O2Cl | 170.595 | -10.49 |
| 100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 |
| 1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
| 100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 |
| 1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 |
| 1000-16-4 | none | none | none | C13H30NO3P | 279.359 | -34.244 |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
| 1000018-50-7 | none | none | none | C13H16N2O4 | 264.28 | -7.3568 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 100021-82-7 | none | none | none | H3O4P.C18H38N2O | 298.513 | -22.282 |
| 100-64-1 | high | high | none | C6H11NO | 113.159 | -6.4182 |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
| 100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 |
| 100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
| 1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 |
| 1000339-33-2 | none | none | none | C10H11NClF | 199.655 | 0.76 |
| 1000284-35-4 | none | none | high | C16H24O4 | 280.363 | -11.936 |