Molecule

ID:106931

General Information
Structure
Molecular Formula
C₁₁H₇N
Molecular Mass
153.17998
Exact Mass
153.05784923
Charge
0
InChI
InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H
InChIKey
AZKDTTQQTKDXLH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)cccc2
Isomeric Smiles
N#Cc1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8188188
LogD (pH = 7.4)
2.8188188
Log P
2.8188188
Molar Refractivity
48.2298
Polarizability
19.804167
Polar Surface Area
23.79
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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