Molecule

ID:85664

General Information
Structure
MolImage
Molecular Formula
C₉H₇N
Molecular Mass
129.15858
Exact Mass
129.05784923
Charge
0
InChI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H
InChIKey
ZWKNLRXFUTWSOY-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/c1ccccc1
Isomeric Smiles
N#C/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3607018
LogD (pH = 7.4)
2.3607018
Log P
2.3607018
Molar Refractivity
42.0392
Polarizability
15.560273
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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