SMILES:
CC(=O)Cc1ccncn1Molecular Processing
Molecular formula
C7H8N2O
Molecular weight
136.15
Exact mass
136.0637
XLogP
0.61
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
36.42
Supplementary Information
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