Molecule

ID:61344

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-2-11-3-5-12(6-4-11)9-16-17(19)14-8-7-13(18)10-15(14)20-16/h3-10,18H,2H2,1H3/b16-9-
InChIKey
LJRYGGAANNKAPA-SXGWCWSVSA-N
Canonic Smiles
CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)O
Isomeric Smiles
C\1(=C\c2ccc(cc2)CC)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524305
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.853674
LogD (pH = 7.4)
3.6655157
Log P
3.856699
Molar Refractivity
78.6694
Polarizability
29.47881
Polar Surface Area
46.53
Rotatable Bonds
2
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
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References
Bioactivity
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