Molecule

ID:97751

General Information
Structure
Molecular Formula
C₁₀H₆FNO₂
Molecular Mass
191.1585432
Exact Mass
191.03825666
Charge
0
InChI
InChI=1S/C10H6FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChIKey
WZTBLZIAYMSIOJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cc(cn2)C(=O)O
Isomeric Smiles
n1cc(cc2cc(ccc12)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7707098
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.17124307
LogD (pH = 7.4)
-1.3574064
Log P
1.8113912
Molar Refractivity
47.4519
Polarizability
18.938145
Polar Surface Area
50.19
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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