Molecule

ID:128511

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
AFBPFSWMIHJQDM-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1
Isomeric Smiles
CNc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.45
LogD (pH = 5.5)
1.38
Log P
1.45
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.68
Polar Surface Area
12.03
Polarizability
12.36
Molar Refractivity
36.25
LOG S
-1.16
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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