Molecule

ID:76847

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
InChIKey
XWKFPIODWVPXLX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)C
Isomeric Smiles
n1c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6665391
LogD (pH = 7.4)
1.3725208
Log P
1.400365
Molar Refractivity
33.5338
Polarizability
12.975547
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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