COc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1
SMILES: COc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1

Molecular Processing

Molecular formula
C21H20O4S
Molecular weight
368.45
Exact mass
368.1082
XLogP
5.3
TPSA
59.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
103.28

Supplementary Information

Details werden geladen…

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