Molecule

ID:74402

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂NO
Molecular Mass
186.07952
Exact Mass
185.0374194
Charge
0
InChI
InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKey
NBJHDLKSWUDGJG-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCOCC1.Cl
Isomeric Smiles
O1CCN(CC1)CCCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.134164
LogD (pH = 7.4)
0.61016077
Log P
0.6361589
Molar Refractivity
38.4059
Polarizability
15.11678
Polar Surface Area
12.47
Rotatable Bonds
2
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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