Structure Info
- Chemspace ID
- CSSS03437850922 (In-Stock Screening Compounds)
- CAS
- 2639462-18-1, 73040-60-5
- MFCD
- MFCD33549969
- IUPAC Name
- methyl octahydro-1H-indole-5-carboxylate hydrochloride
- Mol formula
- C10H18ClNO2
- Mol weight
- 220 Da
- Catalog Number(s)
- ArZ-UP228574, BB4LS-EN300-27755364, BL38358, EN300-27755364, Y3185047, Z4951929602, ZX-NM248580
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.87
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.9
- Polar surface area (Å)
- 38
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS03437850922
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