SMILES:
Nc1nc(NO)nc2ccccc12Molecular Processing
Molecular formula
C8H8N4O
Molecular weight
176.18
Exact mass
176.0698
XLogP
1.01
TPSA
84.06
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.36
Supplementary Information
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