Mol Weight - 170.595
Smiles - OC(Cc1cccc(Cl)c1)=O
InChI - WFPMUFXQDKMVCO-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
| Property Name | Property Value |
| Mol Name | 3-Chloro Phenyl Acetic Acid |
| Molweight | 170.595 |
| Monoisotopic Mass | 170.013457 |
| Clogp | 1.7488 |
| Clogs | -2.33 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 126.54 |
| Relative Psa | 0.20657 |
| Polar Surface Area | 37.3 |
| Druglikeness | -1.5689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.52381 |
| Molecular Complexity | 0.65917 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(Cc1cccc(Cl)c1)=O |
| InChIKey | InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChI | WFPMUFXQDKMVCO-UHFFFAOYSA-N |
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1 — 3-Chloro Phenyl Acetic Acid | 2 — 3-Chloro Phenyl Acetic Acid