Molecule
ID:114312
General Information
Molecular Formula
C₁₀H₇FN₂O
Molecular Mass
190.1737832
Exact Mass
190.05424107
Charge
0
InChI
InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
InChIKey
UWDUMRWLLYZYBY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ncnc(c1)O
Isomeric Smiles
c1c(ncnc1O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.242281
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5164015
LogD (pH = 7.4)
2.5163991
Log P
2.5164053
Molar Refractivity
49.9973
Polarizability
19.742634
Polar Surface Area
46.01
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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