SMILES:
Cc1ccc(N2N=C3c4cc(CCO)sc4CCC3CC2=O)cc1Molecular Processing
Molecular formula
C19H20N2O2S
Molecular weight
340.45
Exact mass
340.1245
XLogP
3.29
TPSA
52.9
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
96.74
Supplementary Information
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