2-[(E)-2-phenylethenyl]phenol
Formula:C14H12O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]phenol is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]phenol |
| MolecularFormula | C14H12O |
| Smiles | Oc1c(/C=C/c2ccccc2)cccc1 |
| InChI | InChI=1S/C14H12O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H |
| InChIK | AYPZAZPOYROADP-UHFFFAOYSA-N |
| TotalMolweight | 196.248 |
| Molweight | 196.248 |
| MonoisotopicMass | 196.088815 |
| CLogP | 3.5209 |
| CLogS | -3.456 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 165.87 |
| Relative PSA | 0.078978 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -1.6732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]phenol | 2 - 2-[(E)-2-phenylethenyl]phenol
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