Name: [4-(4-benzyloxy-benzyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid methyl ester
SMILES:
COC(=O)Cc1cc2ccc(F)cc2c(Cc2ccc(OCc3ccccc3)cc2)c1CMolecular Processing
Molecular formula
C28H25FO3
Molecular weight
428.5
Exact mass
428.1788
XLogP
6.17
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
124.39
Supplementary Information
Details werden geladen…
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