Basic information
- Standard SMILES
NCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
TWHXKTBRMLBBKZ-UHFFFAOYSA-N- Molecular formula
- C9H7I3N2O3
- Average molar mass
- 571.88 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Aminoacetyl)amino]-2,4,6-triiodobenzoic acid
- IUPAC
- 3-[(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid
Names & synonyms
SCHEMBL8209475TWHXKTBRMLBBKZ-UHFFFAOYSA-N3-[(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid
Database identifiers
- PubChem CID
- 22921395
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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