SMILES:
C=CCCCC1CC(O)CC(O)(C2CSC(=O)N2Cc2ccc(OC)cc2)O1Molecular Processing
Molecular formula
C21H29NO5S
Molecular weight
407.53
Exact mass
407.1766
XLogP
3.32
TPSA
79.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.29
Supplementary Information
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