4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol
Formula:C15H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol is a drug-like molecule.
| MolName | 4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol |
| MolecularFormula | C15H14O2 |
| Smiles | Oc(ccc(C/C=C/c1ccccc1)c1)c1O |
| InChI | InChI=1S/C15H14O2/c16-14-10-9-13(11-15(14)17)8-4-7-12-5-2-1-3-6-12/h1-7,9-11,16-17H,8H2 |
| InChIK | ZXMQPNKAUNDPRO-UHFFFAOYSA-N |
| TotalMolweight | 226.274 |
| Molweight | 226.274 |
| MonoisotopicMass | 226.09938 |
| CLogP | 3.5007 |
| CLogS | -3.067 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 185.98 |
| Relative PSA | 0.14088 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -3.1708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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