이름: aldehyde
SMILES:
COC(=O)CCSC(SCCC(=O)OC)c1cccc(C=O)c1Molecular Processing
Molecular formula
C16H20O5S2
Molecular weight
356.47
Exact mass
356.0752
XLogP
3.09
TPSA
69.67
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
92.75
Supplementary Information
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