Molecule

ID:42438

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
QHERSCUZBKDVOC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)C(=O)O
Isomeric Smiles
c1(c(cc(cc1)N)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0328655
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.55201834
LogD (pH = 7.4)
-2.2063682
Log P
0.9446047
Molar Refractivity
38.231
Polarizability
13.583936
Polar Surface Area
63.32
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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