Basic information
- Standard SMILES
CC(C)CCc1ccc([As](=O)(O)O)cc1NCC(N)=O- InChIKey
HKLVZZMQUXGNOC-UHFFFAOYSA-N- Molecular formula
- C13H21AsN2O4
- Average molar mass
- 344.24 g/mol
- Monoisotopic mass
- 344.071727
Names & identifiers
- Preferred name
- Antineoplastic-525327
- IUPAC
- [3-[(2-amino-2-oxoethyl)amino]-4-(3-methylbutyl)phenyl]arsonic acid
Names & synonyms
NSC525327ANTINEOPLASTIC-525327NSC-525327
Database identifiers
- PubChem CID
- 352201
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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