SMILES:
Cc1cn(CC2CCCCO2)c(=N)s1Molecular Processing
Molecular formula
C10H16N2OS
Molecular weight
212.32
Exact mass
212.0983
XLogP
1.91
TPSA
38.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.7
Molar refractivity
56.49
Supplementary Information
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