Basic information
- Standard SMILES
Clc1c(OC2=CC=CNC=C2)ccc2[nH]ncc12- InChIKey
SWUJMPSMLALIKT-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0512396
Names & identifiers
- Preferred name
- 5-(azepin-4-yloxy)-4-chloro-1H-indazole
- IUPAC
- 5-(1H-azepin-4-yloxy)-4-chloro-1H-indazole
Names & synonyms
SCHEMBL5415174SWUJMPSMLALIKT-UHFFFAOYSA-N5-(azepin-4-yloxy)-4-chloro-1H-indazole
Database identifiers
- PubChem CID
- 22933434
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Related reactions
1 records
Compound notes
Loading…