4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]benzoic acid
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C19H14N2O3 |
| Smiles | OC(c1ccc(/C=N\NC(c2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C19H14N2O3/c22-18(17-7-3-5-14-4-1-2-6-16(14)17)21-20-12-13-8-10-15(11-9-13)19(23)24/h1-12H,(H,21,22)(H,23,24) |
| InChIK | NEVLHSSRRDCGKU-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 3.8811 |
| CLogS | -5.34 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.69 |
| Relative PSA | 0.25296 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 4.1625 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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