Molecule

ID:46326

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₂
Molecular Mass
195.68702
Exact Mass
195.1026065
Charge
0
InChI
InChI=1S/C8H17NO2.ClH/c1-10-4-5-11-7-8-2-3-9-6-8;/h8-9H,2-7H2,1H3;1H
InChIKey
DNMQIWDJNPWAKA-UHFFFAOYSA-N
Canonic Smiles
COCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.461557
LogD (pH = 7.4)
-3.3549473
Log P
-0.22107907
Molar Refractivity
44.3306
Polarizability
17.64941
Polar Surface Area
30.49
Rotatable Bonds
5
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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