SMILES:
COc1ccc(CN(CSC(C)(C)C)C(=O)[C@@H](Br)CO)cc1Molecular Processing
Molecular formula
C16H24BrNO3S
Molecular weight
390.34
Exact mass
389.066
XLogP
3.27
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
95.56
Supplementary Information
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