SMILES:
C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1Molecular Processing
Molecular formula
C17H13N7O
Molecular weight
331.34
Exact mass
331.1182
XLogP
1.67
TPSA
90.12
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
92.13
Supplementary Information
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