SMILES:
CCC1SC(NC2CC3CCC2C3)=NC1=OMolecular Processing
Molecular formula
C12H18N2OS
Molecular weight
238.36
Exact mass
238.114
XLogP
2.17
TPSA
41.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
66.48
Supplementary Information
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