Basic information
- Standard SMILES
Cc1ccccc1C(CCC(=O)O)Oc1cc(OCc2cccnc2)ccc1[N+](=O)[O-]- InChIKey
OUEKMGLBJNOSRR-UHFFFAOYSA-N- Molecular formula
- C23H22N2O6
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-Methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid
- IUPAC
- 4-(2-methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid
Names & synonyms
SCHEMBL7901039
Database identifiers
- PubChem CID
- 22010431
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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