Molecule

ID:6910

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆FN
Molecular Mass
171.1704432
Exact Mass
171.04842742
Charge
0
InChI
InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChIKey
XQSGYYNFKIQWAC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c2c1cccc2)F
Isomeric Smiles
c1ccc2c(c1)c(ccc2C#N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9615207
LogD (pH = 7.4)
2.9615207
Log P
2.9615207
Molar Refractivity
48.4462
Polarizability
19.332241
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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