Molecule

ID:110010

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N
Molecular Mass
195.3443
Exact Mass
195.19869981
Charge
0
InChI
InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3
InChIKey
WKJHMKQSIBMURP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC#N
Isomeric Smiles
CCCCCCCCCCCCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9808254
LogD (pH = 7.4)
4.9808254
Log P
4.9808254
Molar Refractivity
62.2599
Polarizability
24.547794
Polar Surface Area
23.79
Rotatable Bonds
10
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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