2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]benzoic acid
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H13N3O3 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cccc1)c1C(O)=O)=O |
| InChI | InChI=1S/C15H13N3O3/c16-12-7-5-10(6-8-12)14(19)18-17-9-11-3-1-2-4-13(11)15(20)21/h1-9H,16H2,(H,18,19)(H,20,21) |
| InChIK | ARYGRTITCGKHGK-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 2.0094 |
| CLogS | -3.81 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 219.61 |
| Relative PSA | 0.35253 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | 4.1162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]benzoic acid
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