Molecule

ID:68645

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1
InChIKey
LKKCSUHCVGCGFA-IBTYICNHSA-N
Canonic Smiles
N[C@@H]1CCCC[C@@H]1O.Cl
Isomeric Smiles
[C@H]1([C@@H](CCCC1)N)O.Cl
Calculated Properties
JChem
Acid pKa
14.611771
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9152315
LogD (pH = 7.4)
-2.2774904
Log P
0.09890806
Molar Refractivity
32.2945
Polarizability
13.196873
Polar Surface Area
46.25
Rotatable Bonds
0
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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