SMILES:
C#Cc1cnc2cc(C(C)(C)C)nn2c1Molecular Processing
Molecular formula
C12H13N3
Molecular weight
199.26
Exact mass
199.1109
XLogP
2.01
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.62
Supplementary Information
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