Molecule

ID:78233

General Information
Structure
MolImage
Molecular Formula
C₉H₅N
Molecular Mass
127.1427
Exact Mass
127.04219917
Charge
0
InChI
InChI=1S/C9H5N/c1-2-8-4-3-5-9(6-8)7-10/h1,3-6H
InChIKey
OFXNEEFXYBSZJQ-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(c1)C#N
Isomeric Smiles
N#Cc1cc(ccc1)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9801773
LogD (pH = 7.4)
1.9801773
Log P
1.9801773
Molar Refractivity
36.9519
Polarizability
14.752788
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
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References
Bioactivity
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