(1S)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C23H19N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC([C@@H](C2)C2(c2ccccc2)c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H19N3O3/c27-22(25-24-16-17-8-7-13-20(14-17)26(28)29)21-15-23(21,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,16,21H,15H2,(H,25,27)/t21-/m1/s1 |
| InChIK | KSDSWFGWGUPUDM-OAQYLSRUSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.8862 |
| CLogS | -5.162 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.59 |
| Relative PSA | 0.22627 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | 0.47802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1S)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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