4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]benzoic acid
Formula:C15H11N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H11N3O5 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(cc2)ccc2C(O)=O)=O)ccc1)=O |
| InChI | InChI=1S/C15H11N3O5/c19-14(12-2-1-3-13(8-12)18(22)23)17-16-9-10-4-6-11(7-5-10)15(20)21/h1-9H,(H,17,19)(H,20,21) |
| InChIK | GXCCEKWSJAEUPV-UHFFFAOYSA-N |
| TotalMolweight | 313.268 |
| Molweight | 313.268 |
| MonoisotopicMass | 313.069872 |
| CLogP | 1.7651 |
| CLogS | -4.194 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 234.76 |
| Relative PSA | 0.39432 |
| PolarSurfaceArea | 124.58 |
| Druglikeness | -0.97906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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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