이름: compound
SMILES:
CSCc1cccc2c(C(CCOS(C)(=O)=O)(c3ccc(Cl)cc3)C3CC3)c[nH]c12Molecular Processing
Molecular formula
C23H26ClNO3S2
Molecular weight
464.05
Exact mass
463.1043
XLogP
5.75
TPSA
59.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
125.89
Supplementary Information
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