Molecule

ID:38128

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO
Molecular Mass
179.68762
Exact Mass
179.10769188
Charge
0
InChI
InChI=1S/C8H17NO.ClH/c1-7(2)5-8-6-10-4-3-9-8;/h7-9H,3-6H2,1-2H3;1H
InChIKey
GPKZEFWVDUMVMK-UHFFFAOYSA-N
Canonic Smiles
CC(CC1NCCOC1)C.Cl
Isomeric Smiles
C1CNC(CO1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.670654
LogD (pH = 7.4)
-0.0755697
Log P
1.2593063
Molar Refractivity
41.8603
Polarizability
16.955612
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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