Molecule

ID:119415

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-15(18)11-7-5-10(6-8-11)13-9-12-3-1-2-4-14(12)20-16(13)19/h1-9H,(H,17,18)
InChIKey
MBBOXTWFFMVNRN-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2ccccc2cc1c1ccc(cc1)C(=O)O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.9121518
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5150458
LogD (pH = 7.4)
-0.098240376
Log P
3.1090302
Molar Refractivity
73.2569
Polarizability
27.682735
Polar Surface Area
63.6
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