Molecule

ID:41674

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₃NO
Molecular Mass
263.2146296
Exact Mass
263.05579854
Charge
0
InChI
InChI=1S/C14H8F3NO/c15-14(16,17)11-2-1-3-13(8-11)19-12-6-4-10(9-18)5-7-12/h1-8H
InChIKey
QAEJDCVHJBSIKH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(Oc2ccc(cc2)C#N)ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2074776
LogD (pH = 7.4)
4.2074776
Log P
4.2074776
Molar Refractivity
63.9941
Polarizability
23.533188
Polar Surface Area
33.02
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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