(E)-3-[4-(4-chlorophenyl)phenyl]prop-2-enoic acid
Formula:C15H11O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(4-chlorophenyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(4-chlorophenyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C15H11O2Cl |
| Smiles | OC(/C=C/c(cc1)ccc1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H11ClO2/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10H,(H,17,18) |
| InChIK | AZQVAMURVZRSHY-UHFFFAOYSA-N |
| TotalMolweight | 258.703 |
| Molweight | 258.703 |
| MonoisotopicMass | 258.044757 |
| CLogP | 3.7391 |
| CLogS | -4.821 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 199.04 |
| Relative PSA | 0.13133 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.26025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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