SMILES:
CC(C)(C)c1ccc(SCC(O)CBr)cc1Molecular Processing
Molecular formula
C13H19BrOS
Molecular weight
303.26
Exact mass
302.034
XLogP
3.83
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
75.67
Supplementary Information
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