SMILES:
C#CCN1CCC(OC)(c2cccc(Sc3ccc(C(C)=O)cc3)c2)C1Molecular Processing
Molecular formula
C22H23NO2S
Molecular weight
365.5
Exact mass
365.1449
XLogP
4.22
TPSA
29.54
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.59
Supplementary Information
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