N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C22H18N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C22H18N2OCl2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\[C@@](C1)(C1(Cl)Cl)c1ccccc1 |
| InChI | InChI=1S/C22H18Cl2N2O/c23-22(24)14-21(22,18-10-2-1-3-11-18)15-25-26-20(27)13-17-9-6-8-16-7-4-5-12-19(16)17/h1-12,15H,13-14H2,(H,26,27)/t21-/m1/s1 |
| InChIK | HMYOEAGBLCRZKX-OAQYLSRUSA-N |
| TotalMolweight | 397.304 |
| Molweight | 397.304 |
| MonoisotopicMass | 396.079617 |
| CLogP | 5.0537 |
| CLogS | -6.802 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 287.27 |
| Relative PSA | 0.12535 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon | this enantiomer |
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1 - N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-2-naphthalen-1-ylacetamide
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