SMILES:
O=c1[nH]c2c(c(=O)[nH]1)CCCC2Molecular Processing
Molecular formula
C8H10N2O2
Molecular weight
166.18
Exact mass
166.0742
XLogP
-0.06
TPSA
65.72
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
44.33
Supplementary Information
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