4-chloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H12N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H12N3O2Cl3 |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl3N3O2/c17-12-6-4-10(5-7-12)16(24)20-9-14(23)22-21-8-11-2-1-3-13(18)15(11)19/h1-8H,9H2,(H,20,24)(H,22,23) |
| InChIK | UIQMGOLOUSYDQS-UHFFFAOYSA-N |
| TotalMolweight | 384.649 |
| Molweight | 384.649 |
| MonoisotopicMass | 382.999508 |
| CLogP | 4.1033 |
| CLogS | -5.696 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.22 |
| Relative PSA | 0.21906 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - 4-chloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-chloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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