Molecule

ID:8431

General Information
Structure
MolImage
Molecular Formula
C₈H₅FO₄
Molecular Mass
184.1213032
Exact Mass
184.01718686
Charge
0
InChI
InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
BBCQSMSCEJBIRD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)cccc1C(=O)O
Isomeric Smiles
O=C(O)c1c(C(=O)O)cccc1F
Calculated Properties
JChem
Acid pKa
2.3424587
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1573238
LogD (pH = 7.4)
-4.414063
Log P
1.4311136
Molar Refractivity
40.7868
Polarizability
14.921747
Polar Surface Area
74.6
Rotatable Bonds
2
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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