Molecule

ID:57557

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂O
Molecular Mass
152.1258032
Exact Mass
152.03859101
Charge
0
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
PEHUCNWTDVPWNC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)oc(n2)N
Isomeric Smiles
c1c(ccc2c1oc(n2)N)F
Calculated Properties
JChem
Acid pKa
13.90664
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3175416
LogD (pH = 7.4)
1.3178868
Log P
1.3178914
Molar Refractivity
37.1132
Polarizability
14.640052
Polar Surface Area
52.05
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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