SMILES:
COc1ccc(C(C#N)Sc2ccc(C)cc2)cc1OCMolecular Processing
Molecular formula
C17H17NO2S
Molecular weight
299.4
Exact mass
299.098
XLogP
4.37
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
84.94
Supplementary Information
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