Molecule

ID:66640

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)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
DZRTZDURJKZGSP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)[nH]c(=O)[nH]2
Isomeric Smiles
c1(=O)[nH]c2c([nH]1)ccc(c2)F
Calculated Properties
JChem
Acid pKa
12.618241
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.2881112
LogD (pH = 7.4)
1.2881088
Log P
1.2881113
Molar Refractivity
40.2112
Polarizability
13.519891
Polar Surface Area
41.13
Rotatable Bonds
0
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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