2,4-dichloro-N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H14N2O2Cl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H14N2O2Cl3F |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H14Cl3FN2O2/c22-14-6-9-16(19(24)10-14)21(28)27-26-11-13-4-7-15(8-5-13)29-12-17-18(23)2-1-3-20(17)25/h1-11H,12H2,(H,27,28) |
| InChIK | QSVCBOBJLCTVDP-UHFFFAOYSA-N |
| TotalMolweight | 451.711 |
| Molweight | 451.711 |
| MonoisotopicMass | 450.010487 |
| CLogP | 6.4685 |
| CLogS | -7.584 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.12 |
| Relative PSA | 0.14239 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.7114 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
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