Molecule

ID:7182

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₂
Molecular Mass
140.1118032
Exact Mass
140.02735762
Charge
0
InChI
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKey
NWDHTEIVMDYWQJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1O)F
Isomeric Smiles
c1cc(c(c(c1)C=O)O)F
Calculated Properties
JChem
Acid pKa
7.432912
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1698916
LogD (pH = 7.4)
1.8936316
Log P
2.1748848
Molar Refractivity
34.8393
Polarizability
12.572008
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
No Data Available
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Molecule Details
References
Bioactivity
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