4-[(Z)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]benzoic acid
Formula:C15H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H12N2O4 |
| Smiles | OC(c1ccc(/C=N\NC(c2cc(O)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C15H12N2O4/c18-13-3-1-2-12(8-13)14(19)17-16-9-10-4-6-11(7-5-10)15(20)21/h1-9,18H,(H,17,19)(H,20,21) |
| InChIK | RFQSZPHMCCPWPY-UHFFFAOYSA-N |
| TotalMolweight | 284.27 |
| Molweight | 284.27 |
| MonoisotopicMass | 284.079708 |
| CLogP | 2.341 |
| CLogS | -3.438 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 217.44 |
| Relative PSA | 0.34607 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 4.1625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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