Molecule

ID:67400

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₂
Molecular Mass
140.1118032
Exact Mass
140.02735762
Charge
0
InChI
InChI=1S/C7H5FO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey
GBJJCODOZGPTBC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1O)F
Isomeric Smiles
C(=O)c1c(O)cc(cc1)F
Calculated Properties
JChem
Acid pKa
7.4013
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1695113
LogD (pH = 7.4)
1.8779569
Log P
2.1748848
Molar Refractivity
34.8393
Polarizability
12.571066
Polar Surface Area
37.3
Rotatable Bonds
1
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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