Name: 6-bromo-8-chloro-4,4-dimethyl-3,4-dihydro-2H-thiochromene
SMILES:
CC1(C)CCSc2c(Cl)cc(Br)cc21Molecular Processing
Molecular formula
C11H12BrClS
Molecular weight
291.64
Exact mass
289.9532
XLogP
4.88
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
67.52
Supplementary Information
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