Molecule

ID:89079

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₄
Molecular Mass
352.3838
Exact Mass
352.14230713
Charge
0
InChI
InChI=1S/C20H20N2O4/c1-13(23)22-19(20(24)25)9-15-11-21-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,19,21H,9,12H2,1H3,(H,22,23)(H,24,25)
InChIKey
JOYGSMRGJUMINJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OCc1ccccc1)CC(C(=O)O)NC(=O)C
Calculated Properties
JChem
Acid pKa
3.7731361
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.8338771
LogD (pH = 7.4)
-0.7124893
Log P
2.5620255
Molar Refractivity
96.7224
Polarizability
38.558296
Polar Surface Area
91.42
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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