Molecule

ID:85626

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₄
Molecular Mass
211.64336
Exact Mass
211.06113561
Charge
0
InChI
InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H
InChIKey
GLFVNTDRBTZJIY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)N.Cl
Isomeric Smiles
O=C(C(C(=O)OCC)N)OCC.Cl
Calculated Properties
JChem
Acid pKa
14.335688
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18361476
LogD (pH = 7.4)
-0.14822398
Log P
-0.1477535
Molar Refractivity
41.0189
Polarizability
16.775362
Polar Surface Area
78.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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