(Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoate
Formula:C15H10O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoate is a drug-like molecule.
| MolName | (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoate |
| MolecularFormula | C15H10O2Cl |
| Smiles | [O-]C(/C(/c1ccccc1)=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H11ClO2/c16-14-9-5-4-8-12(14)10-13(15(17)18)11-6-2-1-3-7-11/h1-10H,(H,17,18)/p-1 |
| InChIK | XRUILMSWZHTDSO-UHFFFAOYSA-M |
| TotalMolweight | 257.695 |
| Molweight | 257.695 |
| MonoisotopicMass | 257.036932 |
| CLogP | 1.3407 |
| CLogS | -3.692 |
| H Acceptors | 2 |
| TotalSurfaceArea | 198.43 |
| Relative PSA | 0.13768 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | 0.44943 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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