(E)-2-benzoyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C23H15NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-benzoyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-benzoyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C23H15NO2Cl2 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c(cc(cc1)Cl)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H15Cl2NO2/c24-20-10-11-22(28-15-17-8-4-5-9-21(17)25)18(13-20)12-19(14-26)23(27)16-6-2-1-3-7-16/h1-13H,15H2 |
| InChIK | MOTULCQPZQXMCK-UHFFFAOYSA-N |
| TotalMolweight | 408.283 |
| Molweight | 408.283 |
| MonoisotopicMass | 407.047983 |
| CLogP | 5.7159 |
| CLogS | -6.925 |
| H Acceptors | 3 |
| TotalSurfaceArea | 311.55 |
| Relative PSA | 0.11748 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -3.9254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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