Molecule

ID:84552

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h5H,3-4,8H2,1-2H3;1H
InChIKey
JYGHNNMPKVPTKF-UHFFFAOYSA-N
Canonic Smiles
CCO/C(=C/C(=O)OCC)/N.Cl
Isomeric Smiles
O(CC)C(=O)/C=C(/OCC)\N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7891062
LogD (pH = 7.4)
0.7891062
Log P
0.7891062
Molar Refractivity
51.2226
Polarizability
16.018576
Polar Surface Area
61.55
Rotatable Bonds
5
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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