Molecule

ID:95093

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₂NO₃
Molecular Mass
227.1642864
Exact Mass
227.03939953
Charge
0
InChI
InChI=1S/C10H7F2NO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKey
DVBSHLGHHLTWPZ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1F)F)/C=C/C(=O)O
Isomeric Smiles
Fc1cc(c(cc1)NC(=O)/C=C/C(=O)O)F
Calculated Properties
JChem
Acid pKa
2.6534693
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.086476
LogD (pH = 7.4)
-1.8251114
Log P
1.6787914
Molar Refractivity
53.3171
Polarizability
18.773401
Polar Surface Area
66.4
Rotatable Bonds
3
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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