SMILES:
COc1cccc(C2SCCNC2=O)c1Molecular Processing
Molecular formula
C11H13NO2S
Molecular weight
223.3
Exact mass
223.0667
XLogP
1.6
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.2
Supplementary Information
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