Molecule

ID:50929

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₄
Molecular Mass
251.70722
Exact Mass
251.09243574
Charge
0
InChI
InChI=1S/C10H17NO4.ClH/c1-2-15-10(13)7-9(12)8-11-3-5-14-6-4-11;/h2-8H2,1H3;1H
InChIKey
NFOYCWYWBRBFTN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)CN1CCOCC1.Cl
Isomeric Smiles
C(C(=O)OCC)C(=O)CN1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
10.352415
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.36820495
LogD (pH = 7.4)
0.40653226
Log P
0.1742083
Molar Refractivity
54.5601
Polarizability
21.539658
Polar Surface Area
55.84
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
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References
Bioactivity
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