이름: (6-methyl-pyridin-2-yl)-propynoic acid ethyl ester
SMILES:
CCOC(=O)C#Cc1cccc(C)n1Molecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.3
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
52.49
Supplementary Information
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