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Basic information
- Standard SMILES
CCOP(=O)(OCC)C(N)c1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
IJDCVWZYCHYXQR-UHFFFAOYSA-N- Molecular formula
- C18H25ClNO6PS
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.0828734
Names & identifiers
- Preferred name
- (4-Chlorophenyl)-diethoxyphosphorylmethanamine;4-methylbenzenesulfonic acid
- IUPAC
- (4-chlorophenyl)-diethoxyphosphorylmethanamine;4-methylbenzenesulfonic acid
Names & synonyms
NSC705596CHEMBL2005720NSC-705596NCI60_037659
Database identifiers
- PubChem CID
- 397500
- ChEMBL
CHEMBL2005720
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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