Molecule

ID:121893

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClN₅
Molecular Mass
297.74228
Exact Mass
297.07812309
Charge
0
InChI
InChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChIKey
AHBSUJXKRKWNBN-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
Isomeric Smiles
c1(nc(nc(n1)Cl)Nc1ccccc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
12.200122
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
5.001693
LogD (pH = 7.4)
5.001699
Log P
5.001706
Molar Refractivity
84.8846
Polarizability
31.113817
Polar Surface Area
62.73
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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