3,4-dichloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H15N2O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H15N2O2Cl3 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c1cc(OCc(cc2)ccc2Cl)ccc1 |
| InChI | InChI=1S/C21H15Cl3N2O2/c22-17-7-4-14(5-8-17)13-28-18-3-1-2-15(10-18)12-25-26-21(27)16-6-9-19(23)20(24)11-16/h1-12H,13H2,(H,26,27) |
| InChIK | CXHPCLVPHWGBQI-UHFFFAOYSA-N |
| TotalMolweight | 433.721 |
| Molweight | 433.721 |
| MonoisotopicMass | 432.019909 |
| CLogP | 6.3677 |
| CLogS | -7.27 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.77 |
| Relative PSA | 0.14525 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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