SMILES:
NCC1OCCc2sc(N3CCCCC3)cc21Molecular Processing
Molecular formula
C13H20N2OS
Molecular weight
252.38
Exact mass
252.1296
XLogP
2.31
TPSA
38.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
71.83
Supplementary Information
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