2-chloro-N-[4-[[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
Formula:C21H14N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[4-[[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]benzamide is not a drug-like molecule.
| MolName | 2-chloro-N-[4-[[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C21H14N3O2Cl3 |
| Smiles | O=C(c(cc1)ccc1NC(c(cccc1)c1Cl)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H14Cl3N3O2/c22-17-4-2-1-3-16(17)21(29)26-15-8-6-14(7-9-15)20(28)27-25-12-13-5-10-18(23)19(24)11-13/h1-12H,(H,26,29)(H,27,28) |
| InChIK | RCHGXTCNQOKEKQ-UHFFFAOYSA-N |
| TotalMolweight | 446.72 |
| Molweight | 446.72 |
| MonoisotopicMass | 445.015158 |
| CLogP | 6.1671 |
| CLogS | -7.441 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 322.22 |
| Relative PSA | 0.18779 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.9085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-chloro-N-[4-[[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]benzamide | 2 - 2-chloro-N-[4-[[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
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