4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
Formula:C20H15N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C20H15N2O3 |
| Smiles | [O-]C(c1ccc(/C=N\NC(Cc2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C20H16N2O3/c23-19(12-17-6-3-5-15-4-1-2-7-18(15)17)22-21-13-14-8-10-16(11-9-14)20(24)25/h1-11,13H,12H2,(H,22,23)(H,24,25)/p-1 |
| InChIK | CORMJBKJHMKRGH-UHFFFAOYSA-M |
| TotalMolweight | 331.35 |
| Molweight | 331.35 |
| MonoisotopicMass | 331.108268 |
| CLogP | 1.8032 |
| CLogS | -5.305 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.63 |
| Relative PSA | 0.24299 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 4.3875 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
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