SMILES:
CC(C)(C)OC(=O)CC1(O)CC2CCC1C=C2c1cccs1Molecular Processing
Molecular formula
C18H24O3S
Molecular weight
320.45
Exact mass
320.1446
XLogP
4.02
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
88.54
Supplementary Information
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