Name: lithium 2-(isopropyl(methyl)amino)benzoxazole-4-carboxylate
SMILES:
CC(C)N(C)c1nc2c(C(=O)[O-])cccc2o1.[Li+]Molecular Processing
Molecular formula
C12H13LiN2O3
Molecular weight
240.19
Exact mass
240.1086
XLogP
-1.96
TPSA
69.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
61.88
Supplementary Information
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