Name: [6-fluoro-4-(4-methanesulfonyl-benzoyl)-naphthalen-2-yl]-acetic acid methyl ester
SMILES:
COC(=O)Cc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2c1Molecular Processing
Molecular formula
C21H17FO5S
Molecular weight
400.43
Exact mass
400.0781
XLogP
3.33
TPSA
77.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
102.61
Supplementary Information
Details werden geladen…
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