2-chloro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C20H16N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C20H16N3O2Cl |
| Smiles | O=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H16ClN3O2/c21-18-11-4-3-10-17(18)20(26)22-13-19(25)24-23-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,22,26)(H,24,25) |
| InChIK | UHONUPPSPFXBOF-UHFFFAOYSA-N |
| TotalMolweight | 365.819 |
| Molweight | 365.819 |
| MonoisotopicMass | 365.093104 |
| CLogP | 4.0857 |
| CLogS | -5.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.98 |
| Relative PSA | 0.21612 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3537 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2-chloro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-chloro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
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