SMILES:
[N-]=[N+]=NCCCn1cnc2c(Cl)nc(N)nc21Molecular Processing
Molecular formula
C8H9ClN8
Molecular weight
252.67
Exact mass
252.0639
XLogP
1.76
TPSA
118.38
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
63.38
Supplementary Information
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