Molecule

ID:20831

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c1-2-9-7-4-3-5-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKey
DRBWUJQGOGQQQU-UHFFFAOYSA-N
Canonic Smiles
CCOC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6079264
LogD (pH = 7.4)
-1.619694
Log P
0.5825185
Molar Refractivity
37.6967
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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