Name: 6-(thiophen-3-yl)-pyridine-2,3-dicarboxylic acid diethyl ester
SMILES:
CCOC(=O)c1ccc(-c2ccsc2)nc1C(=O)OCCMolecular Processing
Molecular formula
C15H15NO4S
Molecular weight
305.36
Exact mass
305.0722
XLogP
3.16
TPSA
65.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
79.46
Supplementary Information
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