SMILES:
N#Cc1cnc(Nc2cc3cc[nH]c3cn2)cn1Molecular Processing
Molecular formula
C12H8N6
Molecular weight
236.24
Exact mass
236.081
XLogP
1.97
TPSA
90.28
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
66.12
Supplementary Information
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