Molecule

ID:98459

General Information
Structure
Molecular Formula
C₁₉H₁₃ClF₂N₄
Molecular Mass
370.7831264
Exact Mass
370.07968056
Charge
0
InChI
InChI=1S/C19H13F2N4.ClH/c20-15-8-4-10-17(12-15)24-22-19(14-6-2-1-3-7-14)23-25(24)18-11-5-9-16(21)13-18;/h1-13H;1H/q+1;/p-1
InChIKey
ADEOAPBIWHHTEL-UHFFFAOYSA-M
Canonic Smiles
Fc1cccc(c1)[n+]1nc(nn1c1cccc(c1)F)c1ccccc1.[Cl-]
Isomeric Smiles
n1[n+](c2cc(ccc2)F)n(c2cccc(c2)F)nc1c1ccccc1.[Cl-]
Calculated Properties
JChem
Acid pKa
19.28238
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.969226
LogD (pH = 7.4)
2.969226
Log P
2.969226
Molar Refractivity
124.7358
Polarizability
35.714325
Polar Surface Area
34.59
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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