Molecule

ID:7350

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₃
Molecular Mass
156.1112032
Exact Mass
156.02227224
Charge
0
InChI
InChI=1S/C7H5FO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey
QATKOZUHTGAWMG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)O)F
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)O)F
Calculated Properties
JChem
Acid pKa
4.0045567
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.035599377
LogD (pH = 7.4)
-1.7231411
Log P
1.4699653
Molar Refractivity
35.5115
Polarizability
13.1008
Polar Surface Area
57.53
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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