Molecule

ID:70328

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m0./s1
InChIKey
AUGDEGXARBUSFU-JEDNCBNOSA-N
Canonic Smiles
OC(=O)[C@@H]1CCCCN1.Cl
Isomeric Smiles
N1[C@@H](CCCC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
2.0631034
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.124041
LogD (pH = 7.4)
-2.1243129
Log P
-2.1239622
Molar Refractivity
32.6653
Polarizability
13.120767
Polar Surface Area
49.33
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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