Molecule

ID:79611

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-2-18-16(17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3
InChIKey
LFHPCJSHNRJCEY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1c2ccccc2Oc2c1cccc2
Isomeric Smiles
O1c2c(cccc2)C(c2c1cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.098116
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3175278
LogD (pH = 7.4)
3.3175278
Log P
3.3175278
Molar Refractivity
71.7356
Polarizability
28.047375
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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