3-(4-Chlorophenyl) glutarate
PubChem CID: 607276
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| Compound Synonyms | 3-(4-chlorophenyl)pentanedioic acid, 35271-74-0, 3-(4-Chlorophenyl)glutaric acid, Pentanedioic acid, 3-(4-chlorophenyl)-, 3-(4-Chlorophenyl) glutarate, EINECS 252-477-1, MFCD00190249, DTXSID80188759, 3-(4-CHLOROPHENYL)-PENTANEDIOIC ACID, Maybridge1_006241, VGC932VYC6, Oprea1_702129, SCHEMBL391659, CS-WAA0108, HMS559D15, DTXCID90111250, 3-(4-chlorophenyl) glutaric acid, ALBB-010225, CCG-45938, STK664062, AKOS003368105, CS-W010273, FC20344, AC-19667, DS-14367, SY001983, DB-021647, EN300-93915, SR-01000635675-1, Z1268153943, 252-477-1, 3-(4-Chlorophenyl)pentanedioic acid, b-(p-Chlorophenyl)glutaric acid, 3-(p-Chlorophenyl)glutaric acid |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-chlorophenyl)pentanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C11H11ClO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | URXVLIVRJJNJII-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -2.21 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.8 |
| Compound Name | 3-(4-Chlorophenyl) glutarate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 242.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.035 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.65 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.369279599999999 |
| Inchi | InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16) |
| Smiles | C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients