Molecule

ID:6869

General Information
Structure
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey
LGPVTNAJFDUWLF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)C(=O)O
Isomeric Smiles
O=C(O)c1c(N)cc(cc1)F
Calculated Properties
JChem
Acid pKa
4.8543277
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.85277665
LogD (pH = 7.4)
-0.916834
Log P
1.5946047
Molar Refractivity
38.231
Polarizability
13.583983
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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