Name: 6-chloro-5-ethyl-2-methoxynicotinate
SMILES:
CCc1cc(C(=O)[O-])c(OC)nc1ClMolecular Processing
Molecular formula
C9H9ClNO3-
Molecular weight
214.63
Exact mass
214.0276
XLogP
0.67
TPSA
62.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
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
49.51
Supplementary Information
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