Molecule

ID:14272

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₄
Molecular Mass
261.70204
Exact Mass
261.07678568
Charge
0
InChI
InChI=1S/C11H15NO4.ClH/c1-8-6-9(16-10(8)11(13)14)7-12-2-4-15-5-3-12;/h6H,2-5,7H2,1H3,(H,13,14);1H
InChIKey
BQEFURKTNUMUPV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1oc(cc1C)CN1CCOCC1.Cl
Isomeric Smiles
c1c(c(oc1CN1CCOCC1)C(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
2.5221403
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8420684
LogD (pH = 7.4)
-2.5162635
Log P
-1.7951219
Molar Refractivity
58.241
Polarizability
22.060974
Polar Surface Area
62.91
Rotatable Bonds
3
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