[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] 3,4-dichlorobenzoate
Formula:C20H17NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] 3,4-dichlorobenzoate |
| MolecularFormula | C20H17NO2Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C(/CCCC1)\C1=C\c1ccccc1 |
| InChI | InChI=1S/C20H17Cl2NO2/c21-17-11-10-16(13-18(17)22)20(24)25-23-19-9-5-4-8-15(19)12-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2 |
| InChIK | YSTDIKUIUMSQMQ-UHFFFAOYSA-N |
| TotalMolweight | 374.266 |
| Molweight | 374.266 |
| MonoisotopicMass | 373.063633 |
| CLogP | 6.628 |
| CLogS | -6.499 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.83 |
| Relative PSA | 0.12303 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.7657 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] 3,4-dichlorobenzoate | 2 - [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] 3,4-dichlorobenzoate
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