Molecule

ID:35160

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16(19)20-14/h1-9H,(H,17,18)
InChIKey
ZYYZSIFSEWJZOO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1oc(=O)c2c(c1c1ccccc1)cccc2
Isomeric Smiles
c1(c(c2c(c(=O)o1)cccc2)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.2801561
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.06735532
LogD (pH = 7.4)
-0.4042429
Log P
3.1142154
Molar Refractivity
82.344
Polarizability
27.626759
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