이름: (1S,5S)-3-Benzenesulfonyl-1-(3,4-dichlorophenyl)-3-methylsulfanyl-bicyclo[3.1.0]hexane
SMILES:
CSC1(S(=O)(=O)c2ccccc2)C[C@@H]2C[C@]2(c2ccc(Cl)c(Cl)c2)C1Molecular Processing
Molecular formula
C19H18Cl2O2S2
Molecular weight
413.39
Exact mass
412.0125
XLogP
5.58
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.35
Supplementary Information
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