Molecule

ID:39268

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₅
Molecular Mass
294.30312
Exact Mass
294.12157169
Charge
0
InChI
InChI=1S/C14H18N2O5/c1-14(2,3)21-13(20)16-10-6-4-9(5-7-10)12(19)15-8-11(17)18/h4-7H,8H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)
InChIKey
IJNIUQCEOZZTTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(ccc(cc1)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.365155
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.684359
LogD (pH = 7.4)
-1.9749602
Log P
1.4365066
Molar Refractivity
76.4099
Polarizability
28.556503
Polar Surface Area
104.73
Rotatable Bonds
6
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