Molecule

ID:34692

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey
RGXUCUWVGKLACF-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)C
Isomeric Smiles
c1c(CN)cccc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3806617
LogD (pH = 7.4)
-0.48547444
Log P
1.6124357
Molar Refractivity
39.5726
Polarizability
15.514689
Polar Surface Area
26.02
Rotatable Bonds
1
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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