Molecule

ID:15715

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKey
NLUDEWJJEMHIIL-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)C(=O)O.Cl
Isomeric Smiles
CN1CCC(CC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.230609
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4834895
LogD (pH = 7.4)
-2.4686625
Log P
-2.4667442
Molar Refractivity
38.37
Polarizability
14.9515705
Polar Surface Area
40.54
Rotatable Bonds
1
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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