Molecule

ID:53199

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO
Molecular Mass
164.1762632
Exact Mass
164.06374313
Charge
0
InChI
InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChIKey
BABIQLUCYVRCIX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)C(C2)C
Isomeric Smiles
c1(ccc2c(c1)C(=O)C(C2)C)F
Calculated Properties
JChem
Acid pKa
16.514229
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5222442
LogD (pH = 7.4)
2.5222442
Log P
2.5222442
Molar Refractivity
44.5166
Polarizability
16.678331
Polar Surface Area
17.07
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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