Molecule

ID:105060

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₅
Molecular Mass
322.31146
Exact Mass
322.08412355
Charge
0
InChI
InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3
InChIKey
OMZRMXULWNMRAE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C(=C/1\OC(=O)C(=C1O)c1ccccc1)/c1ccccc1
Isomeric Smiles
COC(=O)/C(=C/1\OC(=O)C(=C1O)c1ccccc1)/c1ccccc1
Calculated Properties
JChem
Acid pKa
6.0776043
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1256373
LogD (pH = 7.4)
1.8876123
Log P
3.227516
Molar Refractivity
88.8913
Polarizability
33.877647
Polar Surface Area
72.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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