[(Z)-[nitro-(3-nitrophenyl)methylidene]amino] benzoate
Formula:C14H9N3O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[nitro-(3-nitrophenyl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(Z)-[nitro-(3-nitrophenyl)methylidene]amino] benzoate |
| MolecularFormula | C14H9N3O6 |
| Smiles | [O-][N+](/C(/c1cccc([N+]([O-])=O)c1)=N\OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C14H9N3O6/c18-14(10-5-2-1-3-6-10)23-15-13(17(21)22)11-7-4-8-12(9-11)16(19)20/h1-9H |
| InChIK | NKNYVJITXHFAHN-UHFFFAOYSA-N |
| TotalMolweight | 315.24 |
| Molweight | 315.24 |
| MonoisotopicMass | 315.049137 |
| CLogP | 1.9432 |
| CLogS | -4.347 |
| H Acceptors | 9 |
| TotalSurfaceArea | 231.08 |
| Relative PSA | 0.4128 |
| PolarSurfaceArea | 130.3 |
| Druglikeness | -7.9368 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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