Molecule
ID:95060
General Information
Molecular Formula
C₃H₄F₂N₂O₂
Molecular Mass
138.0728664
Exact Mass
138.02408382
Charge
0
InChI
InChI=1S/C3H4F2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)
InChIKey
JOAFJXFAASLOHI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(=O)N)(F)F
Isomeric Smiles
FC(C(=O)N)(C(=O)N)F
Calculated Properties
JChem
Acid pKa
9.326853
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1769364
LogD (pH = 7.4)
-1.1724426
Log P
-1.1769941
Molar Refractivity
22.751
Polarizability
8.754006
Polar Surface Area
86.18
Rotatable Bonds
2
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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