Molecule
ID:98200
General Information
Molecular Formula
C₇H₇FN₂O
Molecular Mass
154.1416832
Exact Mass
154.05424107
Charge
0
InChI
InChI=1S/C7H7FN2O/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
DGQLTQZWCJJIRU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)N)F
Isomeric Smiles
NC(=O)c1c(ccc(c1)N)F
Calculated Properties
JChem
Acid pKa
12.913078
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.1367666
LogD (pH = 7.4)
0.137652
Log P
0.1376621
Molar Refractivity
40.0532
Polarizability
14.049423
Polar Surface Area
69.11
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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