Molecule

ID:96113

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₀F₁₃NO
Molecular Mass
515.2680416
Exact Mass
515.05548081
Charge
0
InChI
InChI=1S/C19H10F13NO/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)12-9-5-4-8-11(12)13(34)33-10-6-2-1-3-7-10/h1-9H,(H,33,34)
InChIKey
PIHRRIIZSOMMOW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(=O)c1c(cccc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
11.761395
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.4461923
LogD (pH = 7.4)
7.4461746
Log P
7.4461927
Molar Refractivity
90.9052
Polarizability
32.374855
Polar Surface Area
29.1
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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