SMILES:
CCCc1cn(CC2CCCO2)c(=N)s1Molecular Processing
Molecular formula
C11H18N2OS
Molecular weight
226.34
Exact mass
226.114
XLogP
2.16
TPSA
38.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
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
0.727
Molar refractivity
61.13
Supplementary Information
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