Nombre: 2-(5-amino-2-chloro-4-fluoro-phenylthio)-4-bromobutyric acid methyl ester
SMILES:
COC(=O)C(CCBr)Sc1cc(N)c(F)cc1ClMolecular Processing
Molecular formula
C11H12BrClFNO2S
Molecular weight
356.64
Exact mass
354.9445
XLogP
3.48
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
75.89
Supplementary Information
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