Molecule

ID:62442

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₂
Molecular Mass
180.1756632
Exact Mass
180.05865775
Charge
0
InChI
InChI=1S/C10H9FO2/c11-8-4-2-1-3-7(8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
MVQOOJNHXHBCGK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(CC1)c1ccccc1F
Isomeric Smiles
C1(CC1)(c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8042521
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6908819
LogD (pH = 7.4)
-0.87145394
Log P
2.3889706
Molar Refractivity
44.8553
Polarizability
17.187252
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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