Molecule

ID:69216

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c9-6-4-7-3-1-2-5-8-7;/h7-9H,1-6H2;1H/t7-;/m0./s1
InChIKey
LJOCPKDUBFJADK-FJXQXJEOSA-N
Canonic Smiles
OCC[C@@H]1CCCCN1.Cl
Isomeric Smiles
N1[C@@H](CCCC1)CCO.Cl
Calculated Properties
JChem
Acid pKa
15.924531
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1343083
LogD (pH = 7.4)
-2.4691408
Log P
0.08711246
Molar Refractivity
37.6633
Polarizability
15.038956
Polar Surface Area
32.26
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
References
Bioactivity
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