Molecule

ID:109491

General Information
Structure
MolImage
Molecular Formula
C₈H₉N
Molecular Mass
119.16376
Exact Mass
119.07349929
Charge
0
InChI
InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
HXTGGPKOEKKUQO-UHFFFAOYSA-N
Canonic Smiles
C/N=C/c1ccccc1
Isomeric Smiles
C/N=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.4121306
LogD (pH = 7.4)
-0.25685218
Log P
1.9220858
Molar Refractivity
39.5958
Polarizability
14.767709
Polar Surface Area
12.36
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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