(Z)-2-(4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C16H10NOF3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C16H10NOF3 |
| Smiles | N#C/C(/c(cc1)ccc1O)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H10F3NO/c17-16(18,19)14-5-1-11(2-6-14)9-13(10-20)12-3-7-15(21)8-4-12/h1-9,21H |
| InChIK | USPMXMITKGMMIR-UHFFFAOYSA-N |
| TotalMolweight | 289.255 |
| Molweight | 289.255 |
| MonoisotopicMass | 289.071448 |
| CLogP | 3.8352 |
| CLogS | -4.111 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 215.25 |
| Relative PSA | 0.12386 |
| PolarSurfaceArea | 44.02 |
| Druglikeness | -12.241 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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