Molecule

ID:76059

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₅
Molecular Mass
287.26742
Exact Mass
287.07937252
Charge
0
InChI
InChI=1S/C15H13NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19)
InChIKey
DIPYTSQSLOJNFI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(O)cc(c1)C(=O)O)OCc1ccccc1
Isomeric Smiles
OC(=O)c1cc(cc(c1)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.6819293
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.0923942
LogD (pH = 7.4)
-0.41053846
Log P
2.9087381
Molar Refractivity
76.3943
Polarizability
28.466888
Polar Surface Area
95.86
Rotatable Bonds
5
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