Molecule

ID:96388

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₃NO
Molecular Mass
241.2091096
Exact Mass
241.07144861
Charge
0
InChI
InChI=1S/C12H10F3NO/c13-12(14,15)17-11-6-2-1-5-10(11)9-16-7-3-4-8-16/h1-8H,9H2
InChIKey
CTBSBUIAZBMHRP-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1Cn1cccc1)(F)F
Isomeric Smiles
n1(Cc2c(cccc2)OC(F)(F)F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4323907
LogD (pH = 7.4)
4.4323907
Log P
4.4323907
Molar Refractivity
53.3964
Polarizability
21.178385
Polar Surface Area
14.16
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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