Molecule

ID:79394

General Information
Structure
MolImage
Molecular Formula
C₉H₇N
Molecular Mass
129.15858
Exact Mass
129.05784923
Charge
0
InChI
InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChIKey
FJIDKRPZJBUHME-UHFFFAOYSA-N
Canonic Smiles
N#CC1Cc2c1cccc2
Isomeric Smiles
N#CC1c2c(cccc2)C1
Calculated Properties
JChem
Acid pKa
14.519763
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8170561
LogD (pH = 7.4)
1.8170561
Log P
1.8170561
Molar Refractivity
39.5574
Polarizability
14.9712305
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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