Molecule

ID:46844

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO
Molecular Mass
233.77806
Exact Mass
233.15464207
Charge
0
InChI
InChI=1S/C12H23NO.ClH/c1-3-12(4-1)10-14-8-6-11-5-2-7-13-9-11;/h11-13H,1-10H2;1H
InChIKey
NQYJPDAKOOTEJD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOCC1CCC1.Cl
Isomeric Smiles
N1CC(CCOCC2CCC2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3356994
LogD (pH = 7.4)
-0.95965654
Log P
1.898623
Molar Refractivity
59.1309
Polarizability
23.599113
Polar Surface Area
21.26
Rotatable Bonds
5
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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