Molecule

ID:99707

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃ClF₂N₄
Molecular Mass
370.7831264
Exact Mass
370.07968056
Charge
0
InChI
InChI=1S/C19H13F2N4.ClH/c20-15-6-10-17(11-7-15)24-22-19(14-4-2-1-3-5-14)23-25(24)18-12-8-16(21)9-13-18;/h1-13H;1H/q+1;/p-1
InChIKey
IMDGDYWQWVOCFG-UHFFFAOYSA-M
Canonic Smiles
Fc1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)F)c1ccccc1.[Cl-]
Isomeric Smiles
n1[n+](c2ccc(cc2)F)n(c2ccc(cc2)F)nc1c1ccccc1.[Cl-]
Calculated Properties
JChem
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
35.707962
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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