SMILES:
CCc1cc(C(O)=S)c(OC)cc1NMolecular Processing
Molecular formula
C10H13NO2S
Molecular weight
211.29
Exact mass
211.0667
XLogP
2.07
TPSA
55.48
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.11
Supplementary Information
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