(E)-3-(3-chlorophenyl)prop-2-enoate
Formula:C9H6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)prop-2-enoate |
| MolecularFormula | C9H6O2Cl |
| Smiles | [O-]C(/C=C/c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/p-1 |
| InChIK | FFKGOJWPSXRALK-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 | none |
| 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 |
Click to Load Molecule:
1 - (E)-3-(3-chlorophenyl)prop-2-enoate | 2 - (E)-3-(3-chlorophenyl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off