Basic information
- Standard SMILES
O=C(O)CCCO/N=C(/c1ccccc1)c1ncccn1- InChIKey
RHNOXUYMHDKACW-JXAWBTAJSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.11134135
Names & identifiers
- Preferred name
- 4-({(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino}oxy)butanoic acid
- IUPAC
- 4-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]oxybutanoic acid
Names & synonyms
CHEMBL131045DTXSID508777644-({(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino}oxy)butanoic acid
Database identifiers
- PubChem CID
- 10684530
- DTXSID
DTXSID50877764- ChEMBL
CHEMBL131045- Nikkaji
- J769.128I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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