(E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid
Formula:C10H9O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid |
| MolecularFormula | C10H9O3Cl |
| Smiles | OC(/C=C/C(O)=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6,9,12H,(H,13,14)/t9-/m0/s1 |
| InChIK | FPLZDFIDWYDARU-VIFPVBQESA-N |
| TotalMolweight | 212.631 |
| Molweight | 212.631 |
| MonoisotopicMass | 212.024022 |
| CLogP | 1.3353 |
| CLogS | -2.094 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 158.13 |
| Relative PSA | 0.24815 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | 0.60312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid | 2 - (E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off