SMILES:
O=C(NC1(C(=O)O)CCCCC1)N1CCSC1Molecular Processing
Molecular formula
C11H18N2O3S
Molecular weight
258.34
Exact mass
258.1038
XLogP
1.49
TPSA
69.64
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
66.01
Supplementary Information
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