SMILES:
Nc1ccc(C2CNCCS2)cc1Molecular Processing
Molecular formula
C10H14N2S
Molecular weight
194.3
Exact mass
194.0878
XLogP
1.65
TPSA
38.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
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
0.4
Molar refractivity
58.92
Supplementary Information
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