SMILES:
COC(=O)C(C)c1ccc2sc(CC(C)C)nc2c1Molecular Processing
Molecular formula
C15H19NO2S
Molecular weight
277.39
Exact mass
277.1136
XLogP
3.77
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
78.59
Supplementary Information
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