이름: 2-isopropylsulfanyl-6-methyl-nicotinic acid methyl ester
SMILES:
COC(=O)c1ccc(C)nc1SC(C)CMolecular Processing
Molecular formula
C11H15NO2S
Molecular weight
225.31
Exact mass
225.0823
XLogP
2.68
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
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
0.455
Molar refractivity
61.31
Supplementary Information
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