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Basic information
- Standard SMILES
O=C(NCCCl)NCCN(CCNC(=O)NCCCl)[N+](=O)[O-]- InChIKey
UBGVRYVFUBKFKC-UHFFFAOYSA-N- Molecular formula
- C10H20Cl2N6O4
- Average molar mass
- 359.21 g/mol
- Monoisotopic mass
- 358.0923085
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[2-[2-(2-chloroethylcarbamoylamino)ethyl-nitroamino]ethyl]urea
- IUPAC
- 1-(2-chloroethyl)-3-[2-[2-(2-chloroethylcarbamoylamino)ethyl-nitroamino]ethyl]urea
Names & synonyms
NSC110791NSC-110791
Database identifiers
- PubChem CID
- 269595
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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