2-chloro-5-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H10N3O4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H10N3O4Cl |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(cc2)cc(C(O)=O)c2Cl)cc1)=O |
| InChI | InChI=1S/C14H10ClN3O4/c15-13-6-3-10(7-12(13)14(19)20)17-16-8-9-1-4-11(5-2-9)18(21)22/h1-8,17H,(H,19,20) |
| InChIK | FXAYSMQJVILZPX-UHFFFAOYSA-N |
| TotalMolweight | 319.703 |
| Molweight | 319.703 |
| MonoisotopicMass | 319.035984 |
| CLogP | 4.0104 |
| CLogS | -4.358 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 232.43 |
| Relative PSA | 0.34217 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -3.2503 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-chloro-5-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]benzoic acid
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