Molecule

ID:45661

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₂NO₂
Molecular Mass
200.06304
Exact Mass
199.01668396
Charge
0
InChI
InChI=1S/C6H10ClNO2.ClH/c7-3-6(9)10-5-1-2-8-4-5;/h5,8H,1-4H2;1H
InChIKey
WCIJOASVXJXMFC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.179729
LogD (pH = 7.4)
-2.548082
Log P
0.043690603
Molar Refractivity
37.457
Polarizability
15.256759
Polar Surface Area
38.33
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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