4-[(Z)-[(2-naphthalen-1-ylsulfanylacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C20H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-naphthalen-1-ylsulfanylacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-naphthalen-1-ylsulfanylacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C20H16N2O3S |
| Smiles | OC(c1ccc(/C=N\NC(CSc2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C20H16N2O3S/c23-19(22-21-12-14-8-10-16(11-9-14)20(24)25)13-26-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,23)(H,24,25) |
| InChIK | OMWBKZZRXHUZJY-UHFFFAOYSA-N |
| TotalMolweight | 364.424 |
| Molweight | 364.424 |
| MonoisotopicMass | 364.088163 |
| CLogP | 4.0939 |
| CLogS | -5.882 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.94 |
| Relative PSA | 0.28757 |
| PolarSurfaceArea | 104.06 |
| Druglikeness | 4.5747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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