SMILES:
N#CCC(CC#N)n1cc(-c2ncnc3[nH]ccc23)cn1Molecular Processing
Molecular formula
C14H11N7
Molecular weight
277.29
Exact mass
277.1076
XLogP
2.19
TPSA
106.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
74.61
Supplementary Information
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