SMILES:
OCc1ncccn1Molecular Processing
Molecular formula
C5H6N2O
Molecular weight
110.12
Exact mass
110.048
XLogP
-0.03
TPSA
46.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
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
0.2
Molar refractivity
27.95
Supplementary Information
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