Molecule

ID:20825

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO
Molecular Mass
175.65586
Exact Mass
175.07639175
Charge
0
InChI
InChI=1S/C8H13NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h1,8-9H,3-7H2;1H
InChIKey
YYXPUZALPBXJSR-UHFFFAOYSA-N
Canonic Smiles
C#CCOC1CCCNC1.Cl
Isomeric Smiles
C(#C)COC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7364204
LogD (pH = 7.4)
-1.7465587
Log P
0.45379362
Molar Refractivity
40.5283
Polarizability
15.856076
Polar Surface Area
21.26
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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