Molecule

ID:84863

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-12-6-2-3-7-13(12)10-11-16(18)14-8-4-5-9-15(14)17/h2-11,17H,1H3
InChIKey
ARUMOQJPOFYOBO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1/C=C/C(=O)c1ccccc1O
Isomeric Smiles
O=C(c1c(cccc1)O)/C=C/c1c(cccc1)C
Calculated Properties
JChem
Acid pKa
8.194421
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.749311
LogD (pH = 7.4)
4.686021
Log P
4.750181
Molar Refractivity
73.8991
Polarizability
27.724436
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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