Molecule

ID:24168

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃
Molecular Mass
209.67538
Exact Mass
209.07197508
Charge
0
InChI
InChI=1S/C10H11N3.ClH/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H3,11,12,13);1H
InChIKey
BIBWVECWXQCTHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(N)[nH]nc1c1ccccc1.Cl
Isomeric Smiles
c1(c2ccccc2)c(c([nH]n1)N)C.Cl
Calculated Properties
JChem
Acid pKa
15.543206
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0774558
LogD (pH = 7.4)
2.0842052
Log P
2.084292
Molar Refractivity
53.5045
Polarizability
21.02805
Polar Surface Area
54.7
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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