Molecule

ID:47424

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c1-6(2)9-7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKey
JOGXKGOBZMKISK-UHFFFAOYSA-N
Canonic Smiles
CC(OC1CNCC1)C.Cl
Isomeric Smiles
N1CCC(OC(C)C)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7524285
LogD (pH = 7.4)
-2.371145
Log P
0.48173088
Molar Refractivity
37.4709
Polarizability
15.112169
Polar Surface Area
21.26
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
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References
Bioactivity
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