Molecule

ID:88683

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₅
Molecular Mass
215.63206
Exact Mass
215.05605023
Charge
0
InChI
InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3-,4-,5-,6+;/m0./s1
InChIKey
QKPLRMLTKYXDST-VURGMNHKSA-N
Canonic Smiles
OCC1O[C@@H](O)[C@H]([C@@H]([C@H]1O)O)N.Cl
Isomeric Smiles
O1[C@H]([C@H]([C@H](O)[C@H](C1CO)O)N)O.Cl
Calculated Properties
JChem
Acid pKa
11.726975
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-5.5965767
LogD (pH = 7.4)
-3.9292529
Log P
-3.039421
Molar Refractivity
37.5809
Polarizability
15.959335
Polar Surface Area
116.17
Rotatable Bonds
1
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