(1S)-2,2-dichloro-N-(3-methoxyphenyl)-1-phenylcyclopropane-1-carboxamide
Formula:C17H15NO2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(1S)-2,2-dichloro-N-(3-methoxyphenyl)-1-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S)-2,2-dichloro-N-(3-methoxyphenyl)-1-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C17H15NO2Cl2 |
| Smiles | COc1cccc(NC([C@@](C2)(C2(Cl)Cl)c2ccccc2)=O)c1 |
| InChI | InChI=1S/C17H15Cl2NO2/c1-22-14-9-5-8-13(10-14)20-15(21)16(11-17(16,18)19)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,20,21)/t16-/m0/s1 |
| InChIK | RPWRCXXJDFNLSX-INIZCTEOSA-N |
| TotalMolweight | 336.217 |
| Molweight | 336.217 |
| MonoisotopicMass | 335.047983 |
| CLogP | 3.7076 |
| CLogS | -4.734 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.41 |
| Relative PSA | 0.14593 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.8123 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | this enantiomer |
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