Molecule

ID:80395

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO
Molecular Mass
177.67174
Exact Mass
177.09204182
Charge
0
InChI
InChI=1S/C8H15NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H
InChIKey
ASWRTDCDFPALAX-UHFFFAOYSA-N
Canonic Smiles
OC1CC2CCC(C1)N2C.Cl
Isomeric Smiles
N1(C2CC(CC1CC2)O)C.Cl
Calculated Properties
JChem
Acid pKa
15.160811
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3879304
LogD (pH = 7.4)
-2.2382734
Log P
0.033560663
Molar Refractivity
40.5938
Polarizability
16.15159
Polar Surface Area
23.47
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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