Molecule

ID:19759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₃NO
Molecular Mass
267.2463896
Exact Mass
267.08709867
Charge
0
InChI
InChI=1S/C14H12F3NO/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKey
QRUSKLPDISMZSL-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Oc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2cc(ccc2)C)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.854805
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.035686
LogD (pH = 7.4)
4.0358744
Log P
4.0358768
Molar Refractivity
68.0141
Polarizability
24.586958
Polar Surface Area
35.25
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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