Molecule

ID:11700

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClN
Molecular Mass
161.67234
Exact Mass
161.0971272
Charge
0
InChI
InChI=1S/C8H15N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3,5,7-8H2,1-2H3;1H
InChIKey
VWNWWFYNIDCSAP-UHFFFAOYSA-N
Canonic Smiles
CCCCNCC#CC.Cl
Isomeric Smiles
C(#CC)CNCCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.95082957
LogD (pH = 7.4)
0.26224807
Log P
2.1955338
Molar Refractivity
41.648
Polarizability
15.92703
Polar Surface Area
12.03
Rotatable Bonds
5
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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