SMILES:
COc1ccc(Cn2cnc3cnc(Nc4cnc(C#N)cn4)cc32)cc1Molecular Processing
Molecular formula
C19H15N7O
Molecular weight
357.38
Exact mass
357.1338
XLogP
2.89
TPSA
101.54
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
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
0.105
Molar refractivity
99.65
Supplementary Information
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