Molecule

ID:46357

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO
Molecular Mass
235.79394
Exact Mass
235.17029214
Charge
0
InChI
InChI=1S/C12H25NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h12-13H,2-11H2,1H3;1H
InChIKey
QWPPFDGYXCGERZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCOCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCCCCC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7328584
LogD (pH = 7.4)
-0.2759158
Log P
2.4987066
Molar Refractivity
60.8891
Polarizability
24.334522
Polar Surface Area
21.26
Rotatable Bonds
7
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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