Structure Info
- Chemspace ID
- CSMB00000746483 (Enamine MADE)
- CAS
- 687133-83-1
- MFCD
- MFCD11107290, MFCD09971422
- IUPAC Name
- 1H,2H,3H,4H,5H-pyrido[4,3-b]indole-6-carboxylic acid
- Mol formula
- C12H12N2O2
- Mol weight
- 216 Da
- Catalog Number(s)
- BB54-4459, BBV-461512, BD01068763, CS-0290004, CSC000746483, EN300-57594, FCH3569155, HY-W227514, OSSL_671887, STK695185, UZI/2668252
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.45
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 65
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB00000746483
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