SMILES:
CC(C)N(C)c1nc2c(C(=O)[O-])cccc2o1Molecular Processing
Molecular formula
C12H13N2O3-
Molecular weight
233.25
Exact mass
233.0932
XLogP
1.04
TPSA
69.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.88
Supplementary Information
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