Molecule

ID:50292

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11-6-8-13(9-7-11)18-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
WIXMNHDXMGVQOY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OCc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(COc2ccc(cc2)C)cccc1)O
Calculated Properties
JChem
Acid pKa
3.7121727
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9240055
LogD (pH = 7.4)
0.4105237
Log P
3.711052
Molar Refractivity
69.4312
Polarizability
26.519936
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation