Название: ethyl 3-hydroxy-5-phenylmethoxynaphthalene-2-carboxylate
SMILES:
CCOC(=O)c1cc2cccc(OCc3ccccc3)c2cc1OMolecular Processing
Molecular formula
C20H18O4
Molecular weight
322.36
Exact mass
322.1205
XLogP
4.3
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
92.34
Supplementary Information
InChIKey: QTDXZUYULIUFEK-UHFFFAOYSA-N
Синонимы
SCHEMBL9788508QTDXZUYULIUFEK-UHFFFAOYSA-NEthyl 5-Benzyloxy-3-hydroxy-2-naphthoate
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