Molecule

ID:21006

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO
Molecular Mass
233.77806
Exact Mass
233.15464207
Charge
0
InChI
InChI=1S/C12H23NO.ClH/c1-2-4-11(5-3-1)7-9-14-12-6-8-13-10-12;/h11-13H,1-10H2;1H
InChIKey
KLMWGFNLRAOUNH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCC2CCCCC2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0449244
LogD (pH = 7.4)
-0.66399175
Log P
2.1892462
Molar Refractivity
58.7265
Polarizability
23.599113
Polar Surface Area
21.26
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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