Molecule

ID:96707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂F₃N₃O₂
Molecular Mass
378.1334296
Exact Mass
376.99456653
Charge
0
InChI
InChI=1S/C14H8Cl2F3N3O2/c15-8-5-10(11(16)20-6-8)12(23)22-13(24)21-9-3-1-2-7(4-9)14(17,18)19/h1-6H,(H2,21,22,23,24)
InChIKey
JSFDDBHYBAIRAX-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(C(=O)c1c(ncc(c1)Cl)Cl)C(=O)Nc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.782194
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.7867057
LogD (pH = 7.4)
3.117015
Log P
3.808636
Molar Refractivity
84.3218
Polarizability
30.194733
Polar Surface Area
71.09
Rotatable Bonds
3
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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