Molecule

ID:24030

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₂FN₃
Molecular Mass
266.1426632
Exact Mass
265.05488104
Charge
0
InChI
InChI=1S/C10H12FN3.2ClH/c11-7-3-4-8-9(6-7)14-10(13-8)2-1-5-12;;/h3-4,6H,1-2,5,12H2,(H,13,14);2*1H
InChIKey
UZWYDXXEEKCGDO-UHFFFAOYSA-N
Canonic Smiles
NCCCc1nc2c([nH]1)ccc(c2)F.Cl.Cl
Isomeric Smiles
c12c(nc([nH]1)CCCN)cc(cc2)F.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.618559
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.5822754
LogD (pH = 7.4)
-1.3927333
Log P
1.1268147
Molar Refractivity
52.4397
Polarizability
21.261536
Polar Surface Area
54.7
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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