SMILES:
N#CCCn1cc(-c2ccc3[nH]nc(N)c3c2)cn1Molecular Processing
Molecular formula
C13H12N6
Molecular weight
252.28
Exact mass
252.1123
XLogP
1.92
TPSA
96.31
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
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
0.154
Molar refractivity
71.96
Supplementary Information
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