SMILES:
CCc1ccc2sc(C(O)c3cc(Br)c4ccccc4c3)cc2c1Molecular Processing
Molecular formula
C21H17BrOS
Molecular weight
397.34
Exact mass
396.0183
XLogP
6.46
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
106.91
Supplementary Information
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