이름: Ethyl-2-(3-pyridylcarbonyl)acetate
SMILES:
CCOC(=O)CC(=O)c1cccnc1Molecular Processing
Molecular formula
C10H11NO3
Molecular weight
193.2
Exact mass
193.0739
XLogP
1.22
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
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
0.3
Molar refractivity
49.82
Supplementary Information
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