(E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C9H6O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C9H6O2Cl |
| Smiles | [O-]C(/C=C/c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/p-1 |
| InChIK | KJRRTHHNKJBVBO-UHFFFAOYSA-M |
| TotalMolweight | 181.598 |
| Molweight | 181.598 |
| MonoisotopicMass | 181.005632 |
| CLogP | 0.0039003 |
| CLogS | -2.735 |
| H Acceptors | 2 |
| TotalSurfaceArea | 140.46 |
| Relative PSA | 0.1945 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -0.53725 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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