Molecule

ID:128908

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈O₄
Molecular Mass
322.35452
Exact Mass
322.12050906
Charge
0
InChI
InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
InChIKey
LWTDZKXXJRRKDG-KXBFYZLASA-N
Canonic Smiles
Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc1c2C=CC(O1)(C)C
Isomeric Smiles
[C@H]12c3ccc(O)cc3OC[C@H]1c1c(c3C=CC(C)(C)Oc3cc1)O2
Calculated Properties
JChem
Acid pKa
9.4207535
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5674663
LogD (pH = 7.4)
3.563423
Log P
3.567518
Molar Refractivity
90.9913
Polarizability
34.844933
Polar Surface Area
47.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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