Molecule

ID:76473

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₄
Molecular Mass
240.21092
Exact Mass
240.04225874
Charge
0
InChI
InChI=1S/C14H8O4/c15-13(16)7-1-3-9-11(5-7)10-4-2-8(14(17)18)6-12(9)10/h1-6H,(H,15,16)(H,17,18)
InChIKey
CYISDYQPECMUKK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c1c2cc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1cc2c(cc1)c1cc(ccc21)C(=O)O
Calculated Properties
JChem
Acid pKa
3.687547
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.4257541
LogD (pH = 7.4)
-3.7167704
Log P
2.6096165
Molar Refractivity
64.7848
Polarizability
26.551485
Polar Surface Area
74.6
Rotatable Bonds
2
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