Molecule

ID:2200

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
WGQKYBSKWIADBV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1
Isomeric Smiles
NCc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.77
LogD (pH = 5.5)
-1.87
Log P
1.10
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.30
Polar Surface Area
26.02
Polarizability
12.32
Molar Refractivity
34.53
LOG S
-0.96
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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