Molecule

ID:34577

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c1-14-9-5-3-2-4-7(9)8-6-10(12)15-11(8)13/h2-6H,1H3
InChIKey
YSCYRLSBPDLBKF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1=CC(=O)OC1=O
Isomeric Smiles
O1C(=O)C(=CC1=O)c1ccccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0703409
LogD (pH = 7.4)
2.0703409
Log P
2.0703409
Molar Refractivity
52.3169
Polarizability
20.176804
Polar Surface Area
52.6
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