SMILES:
Nc1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21Molecular Processing
Molecular formula
C14H12N4O
Molecular weight
252.28
Exact mass
252.1011
XLogP
1.05
TPSA
80.9
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
70.6
Supplementary Information
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