[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate
Formula:C19H15NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate |
| MolecularFormula | C19H15NO2Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C(/CCC1)\C1=C\c1ccccc1 |
| InChI | InChI=1S/C19H15Cl2NO2/c20-16-10-9-15(12-17(16)21)19(23)24-22-18-8-4-7-14(18)11-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2 |
| InChIK | SXDUFHVPFVDDDD-UHFFFAOYSA-N |
| TotalMolweight | 360.239 |
| Molweight | 360.239 |
| MonoisotopicMass | 359.047983 |
| CLogP | 6.286 |
| CLogS | -6.229 |
| H Acceptors | 3 |
| TotalSurfaceArea | 267.07 |
| Relative PSA | 0.12937 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.4357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate | 2 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate
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