SMILES:
c1ccc(-c2nsc(N3CCNCC3)n2)cc1Molecular Processing
Molecular formula
C12H14N4S
Molecular weight
246.34
Exact mass
246.0939
XLogP
1.61
TPSA
41.05
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.43
Supplementary Information
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