SMILES:
c1cc2c(cc1-c1nnc(SCC3CC3)o1)CCO2Molecular Processing
Molecular formula
C14H14N2O2S
Molecular weight
274.34
Exact mass
274.0776
XLogP
3.17
TPSA
48.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
72.38
Supplementary Information
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