名称: 2-(1-ethyl-propyl)-6-methoxy-isonicotinic acid
SMILES:
CCC(CC)c1cc(C(=O)O)cc(OC)n1Molecular Processing
Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
2.69
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
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
0.5
Molar refractivity
61.07
Supplementary Information
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