Molecule

ID:46334

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₃
Molecular Mass
239.73958
Exact Mass
239.12882125
Charge
0
InChI
InChI=1S/C10H21NO3.ClH/c1-12-4-5-13-6-7-14-9-10-2-3-11-8-10;/h10-11H,2-9H2,1H3;1H
InChIKey
LPZQFFPSFYXVOH-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCOCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.5085325
LogD (pH = 7.4)
-3.401923
Log P
-0.26805457
Molar Refractivity
55.3741
Polarizability
22.034855
Polar Surface Area
39.72
Rotatable Bonds
8
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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