Nimustine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 76
Total Number of Articles : 95
PubChem 39214
Molecular Formula

C9H13ClN6O2

SMILES

CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O

InChI

InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)

synonyms
  • NIMUSTINE
  • 42471-28-3
  • Nimustin
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Properties
Property Value
MW 272.69 g/mol
HBD 2
HBA 6
Rotatable Bond Count 4
Exact Mass 272.0788514 g/mol
Monoisotopic Mass 272.0788514 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 292
xlogp 0.4
Topological Polar Surface Area 114