Molecule

ID:74462

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂NO
Molecular Mass
198.09022
Exact Mass
197.0374194
Charge
0
InChI
InChI=1S/C7H13Cl2NO/c1-6(11)10-5-7(9)3-2-4-8/h7H,2-5H2,1H3,(H,10,11)
InChIKey
OARSQJRTKUKHOP-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(CNC(=O)C)Cl
Isomeric Smiles
ClCCCC(CNC(=O)C)Cl
Calculated Properties
JChem
Acid pKa
14.084975
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1594566
LogD (pH = 7.4)
1.1594568
Log P
1.1594568
Molar Refractivity
47.2294
Polarizability
18.56797
Polar Surface Area
29.1
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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