Molecule

ID:59966

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀O₄
Molecular Mass
278.2589
Exact Mass
278.0579088
Charge
0
InChI
InChI=1S/C17H10O4/c18-10-7-12(19)16-14(8-10)21-13-6-5-9-3-1-2-4-11(9)15(13)17(16)20/h1-8,18-19H
InChIKey
DPSVULZFFRWBMZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)oc1c(c2=O)c2ccccc2cc1
Isomeric Smiles
c12c(=O)c3c(oc1cc(cc2O)O)ccc1c3cccc1
Calculated Properties
JChem
Acid pKa
6.4506974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9279711
LogD (pH = 7.4)
2.998605
Log P
3.9919863
Molar Refractivity
77.2283
Polarizability
30.700714
Polar Surface Area
66.76
Rotatable Bonds
0
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