Molecule

ID:82188

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H20NO2.ClH/c1-10(2,3)8-6-5-7-9(11)12-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
MRWJMLKZQXCKNE-UHFFFAOYSA-M
Canonic Smiles
COC(=O)CCCC[N+](C)(C)C.[Cl-]
Isomeric Smiles
[N+](CCCCC(=O)OC)(C)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.3780472
LogD (pH = 7.4)
-3.3780472
Log P
-3.3780472
Molar Refractivity
60.8108
Polarizability
19.536444
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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