Basic information
- CAS
103620-17-3- Standard SMILES
c1cnc2ccc3c(c2c1)CCC1OC31- InChIKey
SRAQHGMBDWVKBQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- 12-Oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene
- IUPAC
- 12-oxa-6-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene
Database identifiers
- CAS
103620-17-3- PubChem CID
- 147339
- DTXSID
DTXSID50908507
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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