N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C17H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C17H15N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(C2)C2c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C17H15N3O3/c21-17(16-10-15(16)13-4-2-1-3-5-13)19-18-11-12-6-8-14(9-7-12)20(22)23/h1-9,11,15-16H,10H2,(H,19,21) |
| InChIK | BJGXVDQDCPYDQS-UHFFFAOYSA-N |
| TotalMolweight | 309.324 |
| Molweight | 309.324 |
| MonoisotopicMass | 309.111342 |
| CLogP | 2.8987 |
| CLogS | -4.76 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.92 |
| Relative PSA | 0.28158 |
| 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 | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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