Molecule

ID:68035

General Information
Structure
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c9-8(6-7(10)11)4-2-1-3-5-8;/h1-6,9H2,(H,10,11);1H
InChIKey
PKGBGSODHWQGTQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(N)CCCCC1.Cl
Isomeric Smiles
C(=O)(CC1(CCCCC1)N)O.Cl
Calculated Properties
JChem
Acid pKa
4.267574
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4703875
LogD (pH = 7.4)
-1.450383
Log P
-1.4506423
Molar Refractivity
41.6066
Polarizability
16.785397
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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