이름: ethyl 3-(3,4-difluorophenyl)-2-thioxopiperidine-3-carboxylate
SMILES:
CCOC(=O)C1(c2ccc(F)c(F)c2)CCCNC1=SMolecular Processing
Molecular formula
C14H15F2NO2S
Molecular weight
299.34
Exact mass
299.0792
XLogP
2.48
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
74.5
Supplementary Information
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