Molecule

ID:10693

General Information
Structure
Molecular Formula
C₉H₂₁NO
Molecular Mass
159.26914
Exact Mass
159.1623143
Charge
0
InChI
InChI=1S/C9H21NO/c1-3-10(4-2)8-6-5-7-9-11/h11H,3-9H2,1-2H3
InChIKey
RUQDFMATAGUGMU-UHFFFAOYSA-N
Canonic Smiles
OCCCCCN(CC)CC
Isomeric Smiles
C(N(CC)CCCCCO)C
Calculated Properties
JChem
Acid pKa
16.843914
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.245746
LogD (pH = 7.4)
-1.5888358
Log P
1.2355745
Molar Refractivity
49.8886
Polarizability
19.46025
Polar Surface Area
23.47
Rotatable Bonds
7
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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