Molecule

ID:123404

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₂
Molecular Mass
133.1888
Exact Mass
133.11027873
Charge
0
InChI
InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
InChIKey
IBZKBSXREAQDTO-UHFFFAOYSA-N
Canonic Smiles
COCCNCCOC
Isomeric Smiles
N(CCOC)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3648722
LogD (pH = 7.4)
-1.9641489
Log P
-0.2868295
Molar Refractivity
36.7804
Polarizability
14.696601
Polar Surface Area
30.49
Rotatable Bonds
6
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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