Molecule
ID:67251
General Information
Molecular Formula
C₆H₅FN₂O
Molecular Mass
140.1151032
Exact Mass
140.03859101
Charge
0
InChI
InChI=1S/C6H5FN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)
InChIKey
GRCLBOGXTPXNPL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccnc1F
Isomeric Smiles
C(=O)(c1cccnc1F)N
Calculated Properties
JChem
Acid pKa
11.779393
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14284647
LogD (pH = 7.4)
0.14286247
Log P
0.14284629
Molar Refractivity
34.2106
Polarizability
12.059506
Polar Surface Area
55.98
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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