SMILES:
COc1ccc2sc(C(O)c3cc(Br)c4ccccc4c3)cc2c1Molecular Processing
Molecular formula
C20H15BrO2S
Molecular weight
399.31
Exact mass
397.9976
XLogP
5.91
TPSA
29.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
104.09
Supplementary Information
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