الاسم: difluoro-quinolin-6-yl-acetic acid ethyl ester
SMILES:
CCOC(=O)C(F)(F)c1ccc2ncccc2c1Molecular Processing
Molecular formula
C13H11F2NO2
Molecular weight
251.23
Exact mass
251.0758
XLogP
2.89
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.231
Molar refractivity
62.27
Supplementary Information
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