Molecule

ID:55687

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClN
Molecular Mass
163.68822
Exact Mass
163.11277726
Charge
0
InChI
InChI=1S/C8H17N.ClH/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7,9H2;1H
InChIKey
UZNMRHPOSFFDLD-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCC1.Cl
Isomeric Smiles
C1CCC(CC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.168377
LogD (pH = 7.4)
-0.743627
Log P
1.8554393
Molar Refractivity
40.3418
Polarizability
16.292534
Polar Surface Area
26.02
Rotatable Bonds
2
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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