Molecule

ID:101243

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-5-6-3-1-2-4-8-6;/h6H,1-5,7H2;1H
InChIKey
NGHRATGQJXKQIQ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCCO1.Cl
Isomeric Smiles
O1C(CN)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.749251
LogD (pH = 7.4)
-1.8025501
Log P
0.23769882
Molar Refractivity
32.7745
Polarizability
13.269628
Polar Surface Area
35.25
Rotatable Bonds
1
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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