Molecule

ID:110919

General Information
Structure
MolImage
Molecular Formula
C₇H₇N
Molecular Mass
105.13718
Exact Mass
105.05784923
Charge
0
InChI
InChI=1S/C7H7N/c1-8-7-5-3-2-4-6-7/h2-6H,1H2
InChIKey
VULHYRAYXYTONQ-UHFFFAOYSA-N
Canonic Smiles
C=Nc1ccccc1
Isomeric Smiles
C=Nc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5396395
LogD (pH = 7.4)
1.6924287
Log P
1.6947832
Molar Refractivity
35.0526
Polarizability
12.910378
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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