Molecule

ID:96331

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₁F₅N₂O₂
Molecular Mass
382.284156
Exact Mass
382.0740687
Charge
0
InChI
InChI=1S/C18H11F5N2O2/c1-8-7-9(2)25(24-8)11-5-3-10(4-6-11)18(26)27-17-15(22)13(20)12(19)14(21)16(17)23/h3-7H,1-2H3
InChIKey
GQQALUKKLLEHOR-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)C)c1ccc(cc1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
n1(c2ccc(cc2)C(=O)Oc2c(c(c(c(c2F)F)F)F)F)nc(cc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7636266
LogD (pH = 7.4)
4.7649245
Log P
4.7649407
Molar Refractivity
87.0458
Polarizability
31.795067
Polar Surface Area
44.12
Rotatable Bonds
4
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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