Name: 2-(allylthio)-6-methylnicotinic acid
SMILES:
C=CCSc1nc(C)ccc1C(=O)OMolecular Processing
Molecular formula
C10H11NO2S
Molecular weight
209.27
Exact mass
209.051
XLogP
2.37
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.85
Supplementary Information
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