Molecule

ID:26820

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClFN₃
Molecular Mass
253.7031232
Exact Mass
253.07820333
Charge
0
InChI
InChI=1S/C12H13ClFN3/c1-7-12(15)8(2)17(16-7)6-9-3-4-10(14)5-11(9)13/h3-5H,6,15H2,1-2H3
InChIKey
PCYFSKARZNSSAM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)Cn1nc(c(c1C)N)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1c(cc(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3734155
LogD (pH = 7.4)
2.3743196
Log P
2.3743312
Molar Refractivity
79.0368
Polarizability
24.730751
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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