Molecule

ID:99474

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇FN₂O
Molecular Mass
214.1951832
Exact Mass
214.05424107
Charge
0
InChI
InChI=1S/C12H7FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h1-7H
InChIKey
HXOAMKBZUPAIPT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccn(c1=O)c1ccc(cc1)F
Isomeric Smiles
n1(c2ccc(cc2)F)cccc(c1=O)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.853057
LogD (pH = 7.4)
1.853057
Log P
1.853057
Molar Refractivity
57.9896
Polarizability
20.88761
Polar Surface Area
44.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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