SMILES:
CCCC(Cc1nc(-c2ccccc2)cs1)c1ccc(CO)cc1Molecular Processing
Molecular formula
C21H23NOS
Molecular weight
337.49
Exact mass
337.15
XLogP
5.43
TPSA
33.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
101.27
Supplementary Information
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