CCCOc1c(OC)cc(C(C#N)C(=O)OCC)cc1SC
SMILES: CCCOc1c(OC)cc(C(C#N)C(=O)OCC)cc1SC

Molecular Processing

Molecular formula
C16H21NO4S
Molecular weight
323.41
Exact mass
323.1191
XLogP
3.38
TPSA
68.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
85.55

Supplementary Information

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