Molecule

ID:20827

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO
Molecular Mass
177.67174
Exact Mass
177.09204182
Charge
0
InChI
InChI=1S/C8H15NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h2,8-9H,1,3-7H2;1H
InChIKey
HOSHQSIPLYSCMV-UHFFFAOYSA-N
Canonic Smiles
C=CCOC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCC=C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2334075
LogD (pH = 7.4)
-1.244631
Log P
0.9569604
Molar Refractivity
42.1108
Polarizability
16.717077
Polar Surface Area
21.26
Rotatable Bonds
3
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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