3-fluoro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C20H16N3O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-fluoro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3-fluoro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C20H16N3O2F |
| Smiles | O=C(CNC(c1cccc(F)c1)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H16FN3O2/c21-17-9-4-7-15(11-17)20(26)22-13-19(25)24-23-12-16-8-3-6-14-5-1-2-10-18(14)16/h1-12H,13H2,(H,22,26)(H,24,25) |
| InChIK | RYAHJZVISJGPFK-UHFFFAOYSA-N |
| TotalMolweight | 349.364 |
| Molweight | 349.364 |
| MonoisotopicMass | 349.122655 |
| CLogP | 3.5805 |
| CLogS | -5.408 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.91 |
| Relative PSA | 0.22336 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9887 |
| 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 - 3-fluoro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide | 2 - 3-fluoro-N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
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