Molecule

ID:134841

General Information
Structure
Molecular Formula
C₁₁H₂₀ClNO₅
Molecular Mass
281.7332
Exact Mass
281.10300043
Charge
0
InChI
InChI=1S/C11H19NO5.ClH/c1-10(2,3)17-9(15)12-11(8(13)14)4-6-16-7-5-11;/h4-7H2,1-3H3,(H,12,15)(H,13,14);1H
InChIKey
CUFRLFYTMJFYTN-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCOCC1)C(=O)O)OC(C)(C)C.Cl
Isomeric Smiles
CC(C)(C)OC(=O)NC1(CCOCC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.8495724
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1203784
LogD (pH = 7.4)
-2.7049584
Log P
0.5339551
Molar Refractivity
59.3917
Polarizability
23.503712
Polar Surface Area
84.86
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