Basic information
- CAS
109784-90-9- Standard SMILES
Cc1ncc2c(c1O)CO[C@H]2c1ccc(Cl)cc1- InChIKey
CVKNDPRBJVBDSS-AWEZNQCLSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Names & identifiers
- Preferred name
- Cicletanine, (S)-
- IUPAC
- (3S)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Names & synonyms
Cicletanine, (S)-109784-90-9686U5CJH0VUNII-686U5CJH0VFURO(3,4-C)pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (3S)-SCHEMBL637073CVKNDPRBJVBDSS-AWEZNQCLSA-N(3S)-3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-ol
Database identifiers
- CAS
109784-90-9- PubChem CID
- 11680500
- UNII
- 686U5CJH0V
- Nikkaji
- J638.581H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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