Molecule

ID:117339

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄
Molecular Mass
259.25732
Exact Mass
259.0844579
Charge
0
InChI
InChI=1S/C14H13NO4/c1-15-8-13(12(16)7-11(15)14(17)18)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKey
IZAWNXNVJUOJCZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(=O)c(cn1C)OCc1ccccc1
Isomeric Smiles
c1(cc(=O)c(cn1C)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1660745
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.4341936
LogD (pH = 7.4)
-1.5763193
Log P
1.8749022
Molar Refractivity
71.5476
Polarizability
26.284342
Polar Surface Area
66.84
Rotatable Bonds
4
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