4-Chloroindole-3-acetic acid
AlkaPlorer ID: AK039256
Synonym: '4-Chloro-IAA'
IUPAC Name: 2-(4-chloro-1H-indol-3-yl)acetic acid
Structure
SMILES: O=C(O)CC1=CNC2=CC=CC(Cl)=C12
InChI: InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKey: WNCFBCKZRJDRKZ-UHFFFAOYSA-N
Reference
The occurrence of 4-chlorotryptophane in Vicia faba
PubChem CID: 100413
CAS: 2519-61-1
LOTUS: LTS0128315
COCONUT: CNP0260563
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pisum sativum | Pisum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 209.632
TPSA？: 53.09
MolLogP？: 2.4484000000000004
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Brassica rapa subsp. pekinensis | Brassica rapa subsp. pekinensis | GI | 6.0 | % | 10.1271/bbb.80138 |
| Cricetulus griseus | V79 | Surviving fraction | 1.0 | None | 10.1016/s0960-894x(02)00505-x |
| Homo sapiens | Serum albumin | logKA | 0.458 | None | 10.1016/j.bmc.2007.04.005 |
| Vigna mungo | Vigna mungo | Activity | 384.0 | % | 10.1271/bbb.80138 |
| Vigna mungo | Vigna mungo | Activity | nan | None | 10.1271/bbb.80138 |
| None | Molecular identity unknown | Rate constant (k) | 1.4 | Ie3 M-1 s-1 | 10.1016/s0960-894x(02)00505-x |
| None | No relevant target | log K | 2.13 | None | 10.1016/j.bmc.2007.04.005 |