Molecule

ID:18339

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₂
Molecular Mass
180.1756632
Exact Mass
180.05865775
Charge
0
InChI
InChI=1S/C10H9FO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
NGVPHOXWSFIYNV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(CC1)c1ccc(cc1)F
Isomeric Smiles
C1(CC1)(C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.8051164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.69171673
LogD (pH = 7.4)
-0.8710547
Log P
2.3889706
Molar Refractivity
44.8553
Polarizability
17.187399
Polar Surface Area
37.3
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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