Molecule

ID:82009

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₄
Molecular Mass
258.70624
Exact Mass
258.06722405
Charge
0
InChI
InChI=1S/C13H11ClN4/c1-2-18-13-10(8-15-18)16-12(14)11(17-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
CQNWVHUPCOLPMC-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc2c1nc(c1ccccc1)c(n2)Cl
Isomeric Smiles
n1c2c(nc(c1c1ccccc1)Cl)cnn2CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.952055
LogD (pH = 7.4)
2.9520566
Log P
2.952057
Molar Refractivity
81.9348
Polarizability
28.70147
Polar Surface Area
43.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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