(Z)-3-(4-chlorophenyl)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]prop-2-enenitrile
Formula:C17H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-chlorophenyl)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-chlorophenyl)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]prop-2-enenitrile |
| MolecularFormula | C17H12N2OCl2 |
| Smiles | N#C/C(/C=N\OCc(cc1)ccc1Cl)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H12Cl2N2O/c18-16-5-1-13(2-6-16)9-15(10-20)11-21-22-12-14-3-7-17(19)8-4-14/h1-9,11H,12H2 |
| InChIK | KDVLLTJQXNOGHG-UHFFFAOYSA-N |
| TotalMolweight | 331.201 |
| Molweight | 331.201 |
| MonoisotopicMass | 330.032667 |
| CLogP | 4.918 |
| CLogS | -5.678 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.8 |
| Relative PSA | 0.13551 |
| PolarSurfaceArea | 45.38 |
| Druglikeness | -3.5265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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