이름: methyl 3-(3-hydroxy-6-iodo-2-pyridinyl)propanoate
SMILES:
COC(=O)CCC1=C(C=CC(=N1)I)OMolecular Processing
Molecular formula
C9H10INO3
Molecular weight
307.09
Exact mass
306.9705
XLogP
1.5
TPSA
59.42
H-bond donors
1
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
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.96
Supplementary Information
InChIKey: XKYLIHQYUIQPOU-UHFFFAOYSA-N
동의어
SCHEMBL8825306XKYLIHQYUIQPOU-UHFFFAOYSA-N3-(3-hydroxy-6-iodo-2-pyridyl)-propionic acid methyl ester
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