N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C20H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C20H17N3O2 |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H17N3O2/c24-19(14-21-20(25)16-8-2-1-3-9-16)23-22-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14H2,(H,21,25)(H,23,24) |
| InChIK | NVUBTYIVGCBVDO-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 3.4797 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.56 |
| Relative PSA | 0.22872 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3287 |
| 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 | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide | 2 - N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
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