| MolName | (Z)-3-(4-chlorophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile |
| MolecularFormula | C15H10NOCl |
| Smiles | N#C/C(/c(cc1)ccc1O)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10ClNO/c16-14-5-1-11(2-6-14)9-13(10-17)12-3-7-15(18)8-4-12/h1-9,18H |
| InChIK | VMBXJRBDQDQQPI-UHFFFAOYSA-N |
| TotalMolweight | 255.703 |
| Molweight | 255.703 |
| MonoisotopicMass | 255.045091 |
| CLogP | 3.5929 |
| CLogS | -4.069 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 201.21 |
| Relative PSA | 0.1325 |
| PolarSurfaceArea | 44.02 |
| Druglikeness | -4.9358 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-3-(4-chlorophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile | 2 - (Z)-3-(4-chlorophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile