Molecule

ID:55419

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClF₂N₃
Molecular Mass
285.7201664
Exact Mass
285.08443158
Charge
0
InChI
InChI=1S/C13H13F2N3.ClH/c14-8-4-9(15)6-10(5-8)18-13-3-1-2-12(16)11(13)7-17-18;/h4-7,12H,1-3,16H2;1H
InChIKey
GWHBVNNENFAEIR-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)cc(c1)n1ncc2c1CCCC2N.Cl
Isomeric Smiles
C1CCc2c(C1N)cnn2c1cc(cc(c1)F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.74609715
LogD (pH = 7.4)
0.31872997
Log P
2.2231233
Molar Refractivity
65.5392
Polarizability
24.825735
Polar Surface Area
43.84
Rotatable Bonds
1
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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