이름: 1,1-dimethylethyl [5-fluoro-2-(fluoroacetyl)-6-(methyloxy)-3-pyridinyl]carbamate
SMILES:
COc1nc(C(=O)CF)c(NC(=O)OC(C)(C)C)cc1FMolecular Processing
Molecular formula
C13H16F2N2O4
Molecular weight
302.28
Exact mass
302.1078
XLogP
2.73
TPSA
77.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.91
Supplementary Information
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