SMILES:
c1ccc2c(c1)CC(Nc1ncnc3ccsc13)C2Molecular Processing
Molecular formula
C15H13N3S
Molecular weight
267.36
Exact mass
267.083
XLogP
3.27
TPSA
37.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
78.68
Supplementary Information
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