Molecule

ID:24204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂N₃O
Molecular Mass
260.11984
Exact Mass
259.02791735
Charge
0
InChI
InChI=1S/C10H10ClN3O.ClH/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11;/h2-6H,12H2,1H3;1H
InChIKey
GDMYTOFMNSNQEN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1noc(n1)C(N)C.Cl
Isomeric Smiles
n1c(noc1C(N)C)c1c(Cl)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.70636696
LogD (pH = 7.4)
2.2635489
Log P
2.53617
Molar Refractivity
69.1843
Polarizability
22.816889
Polar Surface Area
64.94
Rotatable Bonds
2
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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