Molecule

ID:20218

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(18)8-12(13)14(15,16)17/h2-8H,18H2,1H3
InChIKey
HHIXXZJBVXRFLV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cccc(c1)C
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(ccc2)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0317073
LogD (pH = 7.4)
4.0358243
Log P
4.0358768
Molar Refractivity
68.0141
Polarizability
24.585728
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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