4-[(E)-3-phenylprop-2-enyl]phenol
Formula:C15H14O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-phenylprop-2-enyl]phenol is a drug-like molecule.
| MolName | 4-[(E)-3-phenylprop-2-enyl]phenol |
| MolecularFormula | C15H14O |
| Smiles | Oc1ccc(C/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C15H14O/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,16H,8H2 |
| InChIK | YNPGXIGIEYOFEX-UHFFFAOYSA-N |
| TotalMolweight | 210.275 |
| Molweight | 210.275 |
| MonoisotopicMass | 210.104465 |
| CLogP | 3.8464 |
| CLogS | -3.363 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 179.63 |
| Relative PSA | 0.072928 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -3.1708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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