Molecule

ID:36305

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂O₄
Molecular Mass
376.83404
Exact Mass
376.11898484
Charge
0
InChI
InChI=1S/C19H21ClN2O4/c1-26-16-8-6-15(7-9-16)22(13-19(24)25)12-18(23)21-11-10-14-4-2-3-5-17(14)20/h2-9H,10-13H2,1H3,(H,21,23)(H,24,25)
InChIKey
CQPMTEMXBWYNRA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCc1ccccc1Cl
Isomeric Smiles
N(CC(=O)NCCc1c(Cl)cccc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9088116
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3162943
LogD (pH = 7.4)
-0.29551908
Log P
2.9134974
Molar Refractivity
100.0103
Polarizability
38.253002
Polar Surface Area
78.87
Rotatable Bonds
9
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