Molecule

ID:9433

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N
Molecular Mass
179.21726
Exact Mass
179.07349929
Charge
0
InChI
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey
BPMBNLJJRKCCRT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(#N)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4765673
LogD (pH = 7.4)
3.4765673
Log P
3.4765673
Molar Refractivity
56.9158
Polarizability
23.270674
Polar Surface Area
23.79
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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