Molecule

ID:30427

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₂
Molecular Mass
206.1731832
Exact Mass
206.04915569
Charge
0
InChI
InChI=1S/C10H7FN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKey
DAFWBGVQDOZAQL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1n[nH]c(c1)C(=O)O
Isomeric Smiles
c1(cc(n[nH]1)c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4869785
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.024954604
LogD (pH = 7.4)
-1.3485307
Log P
2.0307915
Molar Refractivity
51.8597
Polarizability
20.111835
Polar Surface Area
65.98
Rotatable Bonds
2
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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