(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C16H12NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C16H12NOCl |
| Smiles | N#C/C=C/c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12ClNO/c17-15-9-7-13(8-10-15)12-19-16-6-2-1-4-14(16)5-3-11-18/h1-10H,12H2 |
| InChIK | ZWOZPTUVAWDCII-UHFFFAOYSA-N |
| TotalMolweight | 269.73 |
| Molweight | 269.73 |
| MonoisotopicMass | 269.060741 |
| CLogP | 3.9499 |
| CLogS | -4.749 |
| H Acceptors | 2 |
| TotalSurfaceArea | 220.41 |
| Relative PSA | 0.10689 |
| PolarSurfaceArea | 33.02 |
| Druglikeness | -5.7962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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