SMILES:
O=c1[nH]c(=O)n(CCCCO)c2ccccc12Molecular Processing
Molecular formula
C12H14N2O3
Molecular weight
234.26
Exact mass
234.1004
XLogP
0.46
TPSA
75.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.15
Supplementary Information
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