4-[(Z)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoic acid
Formula:C19H14N2O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(Z)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C19H14N2O4 |
| Smiles | OC(c1ccc(/C=N\NC(c(ccc2ccccc22)c2O)=O)cc1)=O |
| InChI | InChI=1S/C19H14N2O4/c22-17-15-4-2-1-3-13(15)9-10-16(17)18(23)21-20-11-12-5-7-14(8-6-12)19(24)25/h1-11,22H,(H,21,23)(H,24,25) |
| InChIK | DDTHVPQPIXOYNC-UHFFFAOYSA-N |
| TotalMolweight | 334.33 |
| Molweight | 334.33 |
| MonoisotopicMass | 334.095358 |
| CLogP | 3.5354 |
| CLogS | -5.044 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 252.04 |
| Relative PSA | 0.29856 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 4.1625 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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