6-Bromoindole-3-carboxaldehyde
PubChem CID: 2794830
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| Compound Synonyms | 6-Bromoindole-3-carboxaldehyde, 6-Bromo-1H-indole-3-carbaldehyde, 17826-04-9, 1H-Indole-3-carboxaldehyde, 6-bromo-, MFCD00792689, CHEMBL3358229, WCCLQCBKBPTODV-UHFFFAOYSA-, DTXSID10383452, 6-Bromo-3-formylindole, 6-bromoindole-3-carbaldehyde, 6-bromo-1H-indole-3-carboxaldehyde, SCHEMBL1081911, DTXCID80334476, 6-bromo-1H-indol-3-carbaldehyde, CHEBI:206959, WCCLQCBKBPTODV-UHFFFAOYSA-N, ALBB-035499, 6-bromanyl-1H-indole-3-carbaldehyde, BBL029018, BDBM50037783, GEO-00485, STK934860, 6-Bromoindole-3-carboxaldehyde, 97%, AKOS005259128, AB07122, CS-W013077, HY-W012361, PS-3556, NCGC00338460-01, AC-18164, AC-24833, SY017962, DB-026384, B2778, EN300-188429, AB01331264-02, A812351, Z916010012, 627-477-3 |
|---|---|
| Topological Polar Surface Area | 32.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11509 |
| Iupac Name | 6-bromo-1H-indole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Target Id | NPT240 |
| Xlogp | 2.4 |
| Molecular Formula | C9H6BrNO |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCCLQCBKBPTODV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.5 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.67 |
| Compound Name | 6-Bromoindole-3-carboxaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.963 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.963 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1041533999999995 |
| Inchi | InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H |
| Smiles | C1=CC2=C(C=C1Br)NC=C2C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ebracteolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all