Molecule

ID:13890

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H
InChIKey
WKVJGLBBPPFCGD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCCC1.Cl
Isomeric Smiles
C1CCCN(C1)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.8857068
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.211753
LogD (pH = 7.4)
-2.2123144
Log P
-2.211711
Molar Refractivity
38.2147
Polarizability
14.9515705
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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