(E)-2-(4-chlorobenzoyl)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C23H14NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorobenzoyl)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-(4-chlorobenzoyl)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C23H14NO2Cl3 |
| Smiles | N#C/C(/C(c(cc1)ccc1Cl)=O)=C\c(cccc1)c1OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C23H14Cl3NO2/c24-18-10-8-15(9-11-18)23(28)17(13-27)12-16-4-1-2-7-22(16)29-14-19-20(25)5-3-6-21(19)26/h1-12H,14H2 |
| InChIK | ULXXKNCWOCNXDV-UHFFFAOYSA-N |
| TotalMolweight | 442.728 |
| Molweight | 442.728 |
| MonoisotopicMass | 441.00901 |
| CLogP | 6.3219 |
| CLogS | -7.661 |
| H Acceptors | 3 |
| TotalSurfaceArea | 326.97 |
| Relative PSA | 0.11194 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -3.9254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (E)-2-(4-chlorobenzoyl)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-(4-chlorobenzoyl)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
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