Basic information
- Standard SMILES
CC(CO)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21- InChIKey
GQOXGLLYLQFROX-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2OS
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0437119
Names & identifiers
- Preferred name
- 7-chloro-10-[(2RS)-1-hydroxy-2-propyl]-2-phenothiazinecarbonitrile
- IUPAC
- 7-chloro-10-(1-hydroxypropan-2-yl)phenothiazine-2-carbonitrile
Names & synonyms
SCHEMBL9759102GQOXGLLYLQFROX-UHFFFAOYSA-N7-chloro-10-[(2RS)-1-hydroxy-2-propyl]-2-phenothiazinecarbonitrile
Database identifiers
- PubChem CID
- 15925367
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
4 records
Compound notes
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