Molecule

ID:96130

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₁F₁₃N₂O
Molecular Mass
530.2826816
Exact Mass
530.06637984
Charge
0
InChI
InChI=1S/C19H11F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)11-8-4-5-9-12(11)34-13(35)33-10-6-2-1-3-7-10/h1-9H,(H2,33,34,35)
InChIKey
PXRFFHCMLAVCDR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.052638
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
7.4997163
LogD (pH = 7.4)
7.499625
Log P
7.499717
Molar Refractivity
95.3665
Polarizability
33.554092
Polar Surface Area
41.13
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
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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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