이름: ( 7 )
SMILES:
OCCSc1ccc(Sc2ccc(SCCO)cc2)cc1Molecular Processing
Molecular formula
C16H18O2S3
Molecular weight
338.52
Exact mass
338.0469
XLogP
4.01
TPSA
40.46
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
92.63
Supplementary Information
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