Molecule

ID:98391

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂F₅NO₂
Molecular Mass
309.231896
Exact Mass
309.07881973
Charge
0
InChI
InChI=1S/C13H12F5NO2/c1-19-4-2-3-6(5-19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3
InChIKey
GICPVCDRQWBLDR-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
N1(CC(CCC1)C(=O)Oc1c(c(c(c(c1F)F)F)F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.46567047
LogD (pH = 7.4)
2.2302465
Log P
2.9365497
Molar Refractivity
63.8447
Polarizability
23.708101
Polar Surface Area
29.54
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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