Molecule

ID:28794

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂F₃N
Molecular Mass
320.1371096
Exact Mass
319.01423935
Charge
0
InChI
InChI=1S/C14H10Cl2F3N/c15-11-4-9(5-12(16)7-11)8-20-13-3-1-2-10(6-13)14(17,18)19/h1-7,20H,8H2
InChIKey
UYUBBTZWPLIYAT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(CNc2cccc(c2)C(F)(F)F)cc(c1)Cl
Isomeric Smiles
C(c1cc(NCc2cc(cc(c2)Cl)Cl)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.252852
LogD (pH = 7.4)
5.2563896
Log P
5.256435
Molar Refractivity
76.4477
Polarizability
27.775942
Polar Surface Area
12.03
Rotatable Bonds
4
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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