Molecule

ID:96140

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂F₃N₃O₂
Molecular Mass
378.1334296
Exact Mass
376.99456653
Charge
0
InChI
InChI=1S/C14H8Cl2F3N3O2/c15-8-3-1-2-7(4-8)12(23)21-22-13(24)9-6-20-11(16)5-10(9)14(17,18)19/h1-6H,(H,21,23)(H,22,24)
InChIKey
PHARWVJVYLEFOX-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)C(=O)NNC(=O)c1cccc(c1)Cl
Isomeric Smiles
n1c(cc(c(c1)C(=O)NNC(=O)c1cccc(c1)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
Acid pKa
11.876175
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1770532
LogD (pH = 7.4)
3.1770408
Log P
3.1770537
Molar Refractivity
83.1605
Polarizability
29.989864
Polar Surface Area
71.09
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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