SMILES:
NCc1ccc(-c2cc3c(s2)-c2ncccc2OCC3)cc1Molecular Processing
Molecular formula
C18H16N2OS
Molecular weight
308.41
Exact mass
308.0983
XLogP
3.87
TPSA
48.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
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
0.167
Molar refractivity
90.08
Supplementary Information
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