SMILES:
c1cc2ccsc2c(N2CCNCC2)n1Molecular Processing
Molecular formula
C11H13N3S
Molecular weight
219.31
Exact mass
219.083
XLogP
1.71
TPSA
28.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
64.7
Supplementary Information
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