Molecule

ID:96116

General Information
Structure
MolImage
Molecular Formula
C₁₉H₈F₁₅NO
Molecular Mass
551.248968
Exact Mass
551.03663718
Charge
0
InChI
InChI=1S/C19H8F15NO/c20-8-5-6-12(11(21)7-8)35-13(36)9-3-1-2-4-10(9)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h1-7H,(H,35,36)
InChIKey
PVCOUZGLEMLHAP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)NC(=O)c1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N(c1ccc(cc1F)F)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
9.057411
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.731482
LogD (pH = 7.4)
7.722618
Log P
7.7315965
Molar Refractivity
91.338
Polarizability
32.418644
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
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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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