Molecule

ID:67018

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FO₂
Molecular Mass
190.1704832
Exact Mass
190.04300768
Charge
0
InChI
InChI=1S/C11H7FO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14)
InChIKey
PRGBEFGWVMWEGQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cccc2C(=O)O
Isomeric Smiles
c1(cccc2cc(ccc12)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.645471
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.91153413
LogD (pH = 7.4)
-0.5636185
Log P
2.7630074
Molar Refractivity
49.9808
Polarizability
19.807337
Polar Surface Area
37.3
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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