Molecule

ID:103032

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₄
Molecular Mass
225.66994
Exact Mass
225.07678568
Charge
0
InChI
InChI=1S/C8H15NO4.ClH/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5,9H2,1-2H3;1H/t6-;/m0./s1
InChIKey
AJOXZAAREAYBQR-RGMNGODLSA-N
Canonic Smiles
CCOC(=O)C[C@@H](C(=O)OCC)N.Cl
Isomeric Smiles
Cl.CCOC(=O)C[C@H](N)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2244718
LogD (pH = 7.4)
-0.2631847
Log P
-0.2151192
Molar Refractivity
45.5681
Polarizability
18.597557
Polar Surface Area
78.62
Rotatable Bonds
7
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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