Molecule

ID:74303

General Information
Structure
MolImage
Molecular Formula
C₈H₇N
Molecular Mass
117.14788
Exact Mass
117.05784923
Charge
0
InChI
InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)C
Isomeric Smiles
N#Cc1cccc(c1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3427634
LogD (pH = 7.4)
2.3427634
Log P
2.3427634
Molar Refractivity
36.8208
Polarizability
13.943926
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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