الاسم: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-ethylazepan-2-one
SMILES:
CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](N)C1=OMolecular Processing
Molecular formula
C14H18F2N2O
Molecular weight
268.31
Exact mass
268.1387
XLogP
2.02
TPSA
46.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.56
Supplementary Information
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