Molecule

ID:61456

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FO
Molecular Mass
162.1603832
Exact Mass
162.04809306
Charge
0
InChI
InChI=1S/C10H7FO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey
QOJVIUUAFONRTL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c2c1cccc2)O
Isomeric Smiles
c12c(c(ccc1F)O)cccc2
Calculated Properties
JChem
Acid pKa
8.866195
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8016734
LogD (pH = 7.4)
2.7873528
Log P
2.8018591
Molar Refractivity
44.7055
Polarizability
18.094019
Polar Surface Area
20.23
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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