Molecule

ID:129021

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄O₅
Molecular Mass
334.32216
Exact Mass
334.08412355
Charge
0
InChI
InChI=1S/C20H14O5/c1-20(2)8-7-12-14(25-20)6-5-13-17(12)24-19(22)16-11-4-3-10(21)9-15(11)23-18(13)16/h3-9,21H,1-2H3
InChIKey
SPBFWPDNBGDCCJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc1c2c(=O)oc2c1ccc1c2C=CC(O1)(C)C
Isomeric Smiles
Oc1cc2oc3c(c(=O)oc4c5C=CC(C)(C)Oc5ccc34)c2cc1
Calculated Properties
JChem
Acid pKa
9.106769
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6014035
LogD (pH = 7.4)
3.5931184
Log P
3.60151
Molar Refractivity
92.032
Polarizability
37.100018
Polar Surface Area
68.9
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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