SMILES:
c1cc(CCC2CNCCN2)cs1Molecular Processing
Molecular formula
C10H16N2S
Molecular weight
196.32
Exact mass
196.1034
XLogP
1.24
TPSA
24.06
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
57.3
Supplementary Information
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