SMILES:
CC[n+]1csc(CCO)c1CMolecular Processing
Molecular formula
C8H14NOS+
Molecular weight
172.27
Exact mass
172.0791
XLogP
0.9
TPSA
24.11
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
45.71
Supplementary Information
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