Molecule

ID:105981

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₉N
Molecular Mass
269.50896
Exact Mass
269.30825025
Charge
0
InChI
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChIKey
REYJJPSVUYRZGE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCN
Isomeric Smiles
CCCCCCCCCCCCCCCCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
4.32
LogD (pH = 5.5)
3.90
Log P
6.92
Rotatable Bonds
16
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
10.21
Polar Surface Area
26.02
Polarizability
39.13
Molar Refractivity
88.21
LOG S
-7.70
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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