SMILES:
Cc1c([N+](=O)[O-])ccnc1C(=O)NCCN.ClMolecular Processing
Molecular formula
C9H13ClN4O3
Molecular weight
260.68
Exact mass
260.0676
XLogP
0.41
TPSA
111.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
64.26
Supplementary Information
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