SMILES:
COc1ccc(Sc2c(F)cccc2Br)cc1Molecular Processing
Molecular formula
C13H10BrFOS
Molecular weight
313.19
Exact mass
311.962
XLogP
4.75
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
71.22
Supplementary Information
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