Molecule

ID:87511

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClN
Molecular Mass
137.65094
Exact Mass
137.0971272
Charge
0
InChI
InChI=1S/C6H15N.ClH/c1-4-5-6(2,3)7;/h4-5,7H2,1-3H3;1H
InChIKey
HZUOBIXWYQOUBH-UHFFFAOYSA-N
Canonic Smiles
CCCC(N)(C)C.Cl
Isomeric Smiles
NC(CCC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6343478
LogD (pH = 7.4)
-1.4380436
Log P
1.3955919
Molar Refractivity
32.8494
Polarizability
13.342089
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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