SMILES:
Cc1cnc2c(c1)cc1n2C(C)CNC1=OMolecular Processing
Molecular formula
C12H13N3O
Molecular weight
215.26
Exact mass
215.1059
XLogP
1.65
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.51
Supplementary Information
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