Molecule

ID:7523

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₂
Molecular Mass
180.1756632
Exact Mass
180.05865775
Charge
0
InChI
InChI=1S/C10H9FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-4+
InChIKey
DVZABKDWMCAVGE-SNAWJCMRSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(c(c1)F)C
Isomeric Smiles
c1c(c(cc(c1)/C=C/C(=O)O)F)C
Calculated Properties
JChem
Acid pKa
4.2429743
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5141078
LogD (pH = 7.4)
-0.21155141
Log P
2.7922096
Molar Refractivity
48.3175
Polarizability
17.648067
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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