[(Z)-[(4-chlorophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 3,4-dichlorobenzoate
Formula:C23H14NO2Cl5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(4-chlorophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[(4-chlorophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 3,4-dichlorobenzoate |
| MolecularFormula | C23H14NO2Cl5 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C(/C(C1)C1c(ccc(Cl)c1)c1Cl)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H14Cl5NO2/c24-14-4-1-12(2-5-14)22(18-11-17(18)16-7-6-15(25)10-20(16)27)29-31-23(30)13-3-8-19(26)21(28)9-13/h1-10,17-18H,11H2 |
| InChIK | KCPGAKMODQGNHH-UHFFFAOYSA-N |
| TotalMolweight | 513.634 |
| Molweight | 513.634 |
| MonoisotopicMass | 510.946714 |
| CLogP | 8.9485 |
| CLogS | -9.56 |
| H Acceptors | 3 |
| TotalSurfaceArea | 345.86 |
| Relative PSA | 0.099896 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -1.8129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - [(Z)-[(4-chlorophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 3,4-dichlorobenzoate | 2 - [(Z)-[(4-chlorophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 3,4-dichlorobenzoate
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