Molecule

ID:33086

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c1-4-7(3)5-6(2)8;/h4-5H2,1-3H3;1H
InChIKey
JYGSCNZOWISAMU-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(=O)C)C.Cl
Isomeric Smiles
O=C(CN(CC)C)C.Cl
Calculated Properties
JChem
Acid pKa
18.413443
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.8725026
LogD (pH = 7.4)
-0.15426375
Log P
0.35458624
Molar Refractivity
34.3724
Polarizability
13.379135
Polar Surface Area
20.31
Rotatable Bonds
3
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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