SMILES:
Cc1c[nH]c(C)n1Molecular Processing
Molecular formula
C5H8N2
Molecular weight
96.13
Exact mass
96.0687
XLogP
1.03
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
28.06
Supplementary Information
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