3-chloro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N3O2ClF |
| Smiles | O=C(CNC(c1cccc(Cl)c1)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H13ClFN3O2/c17-13-3-1-2-12(8-13)16(23)19-10-15(22)21-20-9-11-4-6-14(18)7-5-11/h1-9H,10H2,(H,19,23)(H,21,22) |
| InChIK | JNFLJQPCLLBUBR-UHFFFAOYSA-N |
| TotalMolweight | 333.749 |
| Molweight | 333.749 |
| MonoisotopicMass | 333.068032 |
| CLogP | 2.9921 |
| CLogS | -4.538 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.73 |
| Relative PSA | 0.24038 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-chloro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3-chloro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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