Molecule

ID:60086

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O
Molecular Mass
190.1737832
Exact Mass
190.05424107
Charge
0
InChI
InChI=1S/C10H7FN2O/c11-8-4-2-1-3-7(8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
InChIKey
AVFCWMCIFJSTAV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1ccc(=O)[nH]n1
Isomeric Smiles
n1[nH]c(=O)ccc1c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
10.335318
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5025789
LogD (pH = 7.4)
1.5021383
Log P
1.5025845
Molar Refractivity
50.9198
Polarizability
18.342566
Polar Surface Area
41.46
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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