CCC1=CC(=C(NC1=O)C)C2=CC(=CN=C2)C(=O)O
名称: 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxylic acid
SMILES: CCC1=CC(=C(NC1=O)C)C2=CC(=CN=C2)C(=O)O

Molecular Processing

Molecular formula
C14H14N2O3
Molecular weight
258.28
Exact mass
258.1004
XLogP
2.01
TPSA
83.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
71.37

Supplementary Information

InChIKey: JVHBWEMJULAZES-UHFFFAOYSA-N
同義語
SCHEMBL2674208JVHBWEMJULAZES-UHFFFAOYSA-N5'-ethyl-2'-methyl-6'-oxo-1',6'-dihydro-[3,3']bipyridinyl-5-carboxylic acid
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