Molecule

ID:7207

General Information
Structure
Molecular Formula
C₁₀H₉FO₂
Molecular Mass
180.1756632
Exact Mass
180.05865775
Charge
0
InChI
InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3
InChIKey
RPAIBTVEPAACRP-UHFFFAOYSA-N
Canonic Smiles
CC1CC(=O)c2c(O1)ccc(c2)F
Isomeric Smiles
c1(ccc2c(c1)C(=O)CC(O2)C)F
Calculated Properties
JChem
Acid pKa
14.4773855
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8708408
LogD (pH = 7.4)
1.8708408
Log P
1.8708408
Molar Refractivity
45.6995
Polarizability
17.397102
Polar Surface Area
26.3
Rotatable Bonds
0
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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