Molecule

ID:30429

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃
Molecular Mass
209.67538
Exact Mass
209.07197508
Charge
0
InChI
InChI=1S/C10H11N3.ClH/c1-7-4-2-3-5-8(7)9-6-10(11)13-12-9;/h2-6H,1H3,(H3,11,12,13);1H
InChIKey
WAOFHNCHKMNFHV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1c1n[nH]c(c1)N.Cl
Isomeric Smiles
c1(cc([nH]n1)N)c1c(C)cccc1.Cl
Calculated Properties
JChem
Acid pKa
14.306777
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0793405
LogD (pH = 7.4)
2.0842292
Log P
2.084292
Molar Refractivity
53.5045
Polarizability
21.027502
Polar Surface Area
54.7
Rotatable Bonds
1
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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