Molecule

ID:96690

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClF₃N₄O₃
Molecular Mass
374.7024096
Exact Mass
374.03935254
Charge
0
InChI
InChI=1S/C14H10ClF3N4O3/c1-7-6-9(20-13(15)19-7)12(24)22-21-11(23)8-4-2-3-5-10(8)25-14(16,17)18/h2-6H,1H3,(H,21,23)(H,22,24)
InChIKey
DAFHUSJCZIYUQN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)nc(c1)C(=O)NNC(=O)c1ccccc1OC(F)(F)F
Isomeric Smiles
n1c(nc(cc1C(=O)NNC(=O)c1c(cccc1)OC(F)(F)F)C)Cl
Calculated Properties
JChem
Acid pKa
11.273623
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.0219827
LogD (pH = 7.4)
3.021932
Log P
3.0219831
Molar Refractivity
78.1255
Polarizability
29.794802
Polar Surface Area
93.21
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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