SMILES:
CCCCc1nc(SC)c(C(=O)OCC)[nH]1Molecular Processing
Molecular formula
C11H18N2O2S
Molecular weight
242.34
Exact mass
242.1089
XLogP
2.65
TPSA
54.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
64.94
Supplementary Information
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