Molecule

ID:30803

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂N₃
Molecular Mass
244.12044
Exact Mass
243.03300273
Charge
0
InChI
InChI=1S/C10H10ClN3.ClH/c1-6-9(13-14-10(6)12)7-4-2-3-5-8(7)11;/h2-5H,1H3,(H3,12,13,14);1H
InChIKey
GCYPRUQOYMKNER-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1n[nH]c(c1C)N.Cl
Isomeric Smiles
c1(c(c([nH]n1)N)C)c1c(Cl)cccc1.Cl
Calculated Properties
JChem
Acid pKa
15.357981
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6835856
LogD (pH = 7.4)
2.6882765
Log P
2.6883366
Molar Refractivity
58.3093
Polarizability
22.85915
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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