1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitrosourea
Basic information
- CAS
61137-63-1- Standard SMILES
C[C@@H]1CCC[C@@H](NC(=O)N(CCCl)N=O)C1- InChIKey
FFCHNDRHTRPWMU-RKDXNWHRSA-N- Molecular formula
- C10H18ClN3O2
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.1087545
Names & identifiers
- Preferred name
- 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitrosourea
Names & synonyms
61137-63-1CHEMBL3276037NSC232961NSC-232961
Database identifiers
- CAS
61137-63-1- PubChem CID
- 314600
- ChEMBL
CHEMBL3276037
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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