Molecule

ID:98732

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClF₃N₂O
Molecular Mass
288.6529296
Exact Mass
288.02772523
Charge
0
InChI
InChI=1S/C12H8ClF3N2O/c13-8-6-7(17)4-5-9(8)19-11-3-1-2-10(18-11)12(14,15)16/h1-6H,17H2
InChIKey
AORPQZYAULKIOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1cccc(n1)C(F)(F)F
Isomeric Smiles
n1c(cccc1C(F)(F)F)Oc1c(cc(cc1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.887037
LogD (pH = 7.4)
3.8891091
Log P
3.8891356
Molar Refractivity
65.5623
Polarizability
24.02074
Polar Surface Area
48.14
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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