(E)-3-(4-phenylphenyl)prop-2-enoic acid
Formula:C15H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-phenylphenyl)prop-2-enoic acid |
| MolecularFormula | C15H12O2 |
| Smiles | OC(/C=C/c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17) |
| InChIK | DMJDEZUEYXVYNO-UHFFFAOYSA-N |
| TotalMolweight | 224.258 |
| Molweight | 224.258 |
| MonoisotopicMass | 224.08373 |
| CLogP | 3.1331 |
| CLogS | -4.085 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 183.62 |
| Relative PSA | 0.14236 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.1675 |
| 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 | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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