Molecule

ID:96708

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂F₃N₃O₂
Molecular Mass
378.1334296
Exact Mass
376.99456653
Charge
0
InChI
InChI=1S/C14H8Cl2F3N3O2/c15-9-5-10(11(16)21-6-9)13(23)24-22-12(20)7-2-1-3-8(4-7)14(17,18)19/h1-6H,(H2,20,22)
InChIKey
DURAXJMRNRXJOK-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)C(=O)O/N=C(/c1cccc(c1)C(F)(F)F)\N)Cl
Isomeric Smiles
N(=C(\c1cc(ccc1)C(F)(F)F)/N)/OC(=O)c1c(ncc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.1716046
LogD (pH = 7.4)
4.1759863
Log P
4.1760426
Molar Refractivity
83.3899
Polarizability
30.548235
Polar Surface Area
77.57
Rotatable Bonds
5
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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