이름: 5-[3-hydroxy-2-(2-methoxycarbonylethyl)-6-pyridyl]-4-pentynoic acid methyl ester
SMILES:
COC(=O)CCC#Cc1ccc(O)c(CCC(=O)OC)n1Molecular Processing
Molecular formula
C15H17NO5
Molecular weight
291.3
Exact mass
291.1107
XLogP
1.2
TPSA
85.72
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
74.37
Supplementary Information
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