3-[(E)-2-(3-chlorophenyl)ethenyl]phenol
Formula:C14H11OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(3-chlorophenyl)ethenyl]phenol is a drug-like molecule.
| MolName | 3-[(E)-2-(3-chlorophenyl)ethenyl]phenol |
| MolecularFormula | C14H11OCl |
| Smiles | Oc1cccc(/C=C/c2cccc(Cl)c2)c1 |
| InChI | InChI=1S/C14H11ClO/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10,16H |
| InChIK | YEBCUGLJAXHLOV-UHFFFAOYSA-N |
| TotalMolweight | 230.693 |
| Molweight | 230.693 |
| MonoisotopicMass | 230.049842 |
| CLogP | 4.1269 |
| CLogS | -4.192 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 181.29 |
| Relative PSA | 0.07226 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -1.5192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(E)-2-(3-chlorophenyl)ethenyl]phenol | 2 - 3-[(E)-2-(3-chlorophenyl)ethenyl]phenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off