Molecule

ID:88146

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
InChIKey
UQXNEWQGGVUVQA-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.11
LogD (pH = 5.5)
-1.17
Log P
-1.11
Rotatable Bonds
7
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
63.32
Polarizability
18.87
Molar Refractivity
43.86
LOG S
-0.91
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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