Molecule

ID:46356

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO
Molecular Mass
235.79394
Exact Mass
235.17029214
Charge
0
InChI
InChI=1S/C12H25NO.ClH/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12;/h12-13H,2-11H2,1H3;1H
InChIKey
FDCIEDFSCVFPQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCCCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.79237765
LogD (pH = 7.4)
-0.41633484
Log P
2.4419446
Molar Refractivity
61.0625
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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