Molecule

ID:55228

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClNO
Molecular Mass
153.65034
Exact Mass
153.09204182
Charge
0
InChI
InChI=1S/C6H15NO.ClH/c1-3-4-8-6(2)5-7;/h6H,3-5,7H2,1-2H3;1H
InChIKey
QHBGWMZPZTZZRJ-UHFFFAOYSA-N
Canonic Smiles
CCCOC(CN)C.Cl
Isomeric Smiles
NCC(OCCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3643274
LogD (pH = 7.4)
-1.4243358
Log P
0.623471
Molar Refractivity
34.6537
Polarizability
14.000582
Polar Surface Area
35.25
Rotatable Bonds
4
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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