Molecule

ID:47103

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₃
Molecular Mass
239.73958
Exact Mass
239.12882125
Charge
0
InChI
InChI=1S/C10H21NO3.ClH/c1-12-5-6-13-7-8-14-10-3-2-4-11-9-10;/h10-11H,2-9H2,1H3;1H
InChIKey
LNYBJPKDDIWSAM-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCCOCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0586748
LogD (pH = 7.4)
-2.0703676
Log P
0.13175954
Molar Refractivity
55.0351
Polarizability
22.034855
Polar Surface Area
39.72
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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