Molecule

ID:69038

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChIKey
RYLBYCHERDTVAY-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)cc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(cc(c1)F)N)O
Calculated Properties
JChem
Acid pKa
4.456364
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.14216739
LogD (pH = 7.4)
-1.9048359
Log P
0.9446047
Molar Refractivity
38.231
Polarizability
13.583461
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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