Molecule

ID:29192

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉NO
Molecular Mass
145.24256
Exact Mass
145.14666423
Charge
0
InChI
InChI=1S/C8H19NO/c1-8(2,3)7-9-5-6-10-4/h9H,5-7H2,1-4H3
InChIKey
QEUZQXLIJFMEEI-UHFFFAOYSA-N
Canonic Smiles
COCCNCC(C)(C)C
Isomeric Smiles
C(CNCCOC)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.833663
LogD (pH = 7.4)
-1.0909754
Log P
1.3824501
Molar Refractivity
43.8792
Polarizability
17.689554
Polar Surface Area
21.26
Rotatable Bonds
5
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
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References
Bioactivity
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