3,4-dichloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H11N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H11N3O2Cl4 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C16H11Cl4N3O2/c17-11-5-4-9(6-13(11)19)16(25)21-8-14(24)23-22-7-10-2-1-3-12(18)15(10)20/h1-7H,8H2,(H,21,25)(H,23,24) |
| InChIK | OEQKMXPJONJMAU-UHFFFAOYSA-N |
| TotalMolweight | 419.094 |
| Molweight | 419.094 |
| MonoisotopicMass | 416.960535 |
| CLogP | 4.7093 |
| CLogS | -6.432 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.64 |
| Relative PSA | 0.20748 |
| 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 | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3,4-dichloro-N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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