Molecule

ID:33087

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-9(11)8-10-6-4-2-3-5-7-10;/h2-8H2,1H3;1H
InChIKey
LXVFOCILDUHSCK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CN1CCCCCC1.Cl
Isomeric Smiles
N1(CC(=O)C)CCCCCC1.Cl
Calculated Properties
JChem
Acid pKa
18.36911
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4788235
LogD (pH = 7.4)
0.28848636
Log P
1.292713
Molar Refractivity
46.3668
Polarizability
18.177366
Polar Surface Area
20.31
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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