COc1ccc(-c2nc(SCCBr)sc2-c2ccc(OC)cc2)cc1
SMILES: COc1ccc(-c2nc(SCCBr)sc2-c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C19H18BrNO2S2
Molecular weight
436.4
Exact mass
434.9962
XLogP
5.98
TPSA
31.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
110.61

Supplementary Information

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