SMILES:
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1csc2ccccc12Molecular Processing
Molecular formula
C27H23NO3S
Molecular weight
441.55
Exact mass
441.1399
XLogP
7.24
TPSA
59.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
126.81
Supplementary Information
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