Molecule

ID:11719

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey
WFSPEVFSRUTRCN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)N)F
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)N)F
Calculated Properties
JChem
Acid pKa
4.908491
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.25414428
LogD (pH = 7.4)
-1.5105969
Log P
0.9446047
Molar Refractivity
38.231
Polarizability
13.583857
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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