7-Chloro-indole-1-acetic acid
PubChem CID: 67082699
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| Compound Synonyms | 7-Chloro-indole-1-acetic acid, 943654-32-8, 2-(7-chloro-1h-indol-1-yl)acetic acid, (7-chloroindol-1-yl)acetic acid, SCHEMBL1576332, HCPLEHHIQHALRW-UHFFFAOYSA-N, 2-(7-chloroindol-1-yl)acetic acid, F80707 |
|---|---|
| Topological Polar Surface Area | 42.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(7-chloroindol-1-yl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H8ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCPLEHHIQHALRW-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.539 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.107 |
| Compound Name | 7-Chloro-indole-1-acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 209.024 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.024 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 209.63 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9450326857142857 |
| Inchi | InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-4-5-12(10(7)8)6-9(13)14/h1-5H,6H2,(H,13,14) |
| Smiles | C1=CC2=C(C(=C1)Cl)N(C=C2)CC(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients