(E)-2-benzyl-3-phenylprop-2-enoic acid
Formula:C16H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-benzyl-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-benzyl-3-phenylprop-2-enoic acid |
| MolecularFormula | C16H14O2 |
| Smiles | OC(/C(/Cc1ccccc1)=C/c1ccccc1)=O |
| InChI | InChI=1S/C16H14O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18) |
| InChIK | KNEFRHCUYCDKRK-UHFFFAOYSA-N |
| TotalMolweight | 238.285 |
| Molweight | 238.285 |
| MonoisotopicMass | 238.09938 |
| CLogP | 3.5222 |
| CLogS | -3.258 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.59 |
| Relative PSA | 0.13365 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.39559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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