Molecule

ID:125832

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁NO₂
Molecular Mass
175.26854
Exact Mass
175.15722892
Charge
0
InChI
InChI=1S/C9H18O2.H3N/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);1H3
InChIKey
KLIDOSBTXDALBI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)[O-].[NH4+]
Isomeric Smiles
[NH4+].[O-]C(=O)CCCCCCCC
Calculated Properties
JChem
Acid pKa
5.2291803
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.687625
LogD (pH = 7.4)
0.9894736
Log P
3.144602
Molar Refractivity
55.7137
Polarizability
17.70581
Polar Surface Area
40.13
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
References
Bioactivity
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