Molecule

ID:20225

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂F₃NO
Molecular Mass
352.1789696
Exact Mass
351.04045409
Charge
0
InChI
InChI=1S/C15H13ClF3NO.ClH/c1-8-5-11(6-9(2)14(8)16)21-13-4-3-10(20)7-12(13)15(17,18)19;/h3-7H,20H2,1-2H3;1H
InChIKey
GLUHNEDUIUUUGF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cc(C)c(c(c1)C)Cl.Cl
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(c(c(c2)C)Cl)C)ccc(c1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1499486
LogD (pH = 7.4)
5.1533003
Log P
5.153343
Molar Refractivity
77.8601
Polarizability
28.27965
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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