Molecule

ID:67458

General Information
Structure
MolImage
Molecular Formula
C₈H₉N
Molecular Mass
119.16376
Exact Mass
119.07349929
Charge
0
InChI
InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChIKey
KRNSYSYRLQDHDK-UHFFFAOYSA-N
Canonic Smiles
c1cnc2c(c1)CCC2
Isomeric Smiles
c12c(cccn1)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0620794
LogD (pH = 7.4)
1.6207292
Log P
1.6371748
Molar Refractivity
36.3585
Polarizability
14.080879
Polar Surface Area
12.89
Rotatable Bonds
0
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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