N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]quinoline-2-carboxamide
Formula:C20H15N3OCl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C20H15N3OCl2 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\[C@@](C1)(C1(Cl)Cl)c1ccccc1 |
| InChI | InChI=1S/C20H15Cl2N3O/c21-20(22)12-19(20,15-7-2-1-3-8-15)13-23-25-18(26)17-11-10-14-6-4-5-9-16(14)24-17/h1-11,13H,12H2,(H,25,26)/t19-/m1/s1 |
| InChIK | OFFFDJLPKXCHPM-LJQANCHMSA-N |
| TotalMolweight | 384.265 |
| Molweight | 384.265 |
| MonoisotopicMass | 383.059216 |
| CLogP | 4.2312 |
| CLogS | -5.961 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.27 |
| Relative PSA | 0.17255 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.8295 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-[(1S)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]quinoline-2-carboxamide
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