Molecule

ID:74472

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N
Molecular Mass
129.24316
Exact Mass
129.15174961
Charge
0
InChI
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey
IOQPZZOEVPZRBK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCN
Isomeric Smiles
NCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.13
LogD (pH = 5.5)
-0.55
Log P
2.48
Rotatable Bonds
6
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
26.02
Polarizability
17.88
Molar Refractivity
42.20
LOG S
-2.48
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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