[(Z)-(3-nitrophenyl)methylideneamino] benzoate
Formula:C14H10N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] benzoate |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](c1cc(/C=N\OC(c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C14H10N2O4/c17-14(12-6-2-1-3-7-12)20-15-10-11-5-4-8-13(9-11)16(18)19/h1-10H |
| InChIK | KLBFNKQZZVOHMT-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 2.9965 |
| CLogS | -4.231 |
| H Acceptors | 6 |
| TotalSurfaceArea | 209.2 |
| Relative PSA | 0.31056 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -8.4871 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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