Molecule

ID:64592

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c8-5-4-7-3-1-2-6-9-7;/h7H,1-6,8H2;1H
InChIKey
VLQAPJJITJTNJR-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCO1.Cl
Isomeric Smiles
O1C(CCN)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7245915
LogD (pH = 7.4)
-2.257042
Log P
0.29765856
Molar Refractivity
37.6399
Polarizability
15.112169
Polar Surface Area
35.25
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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