Molecule

ID:73836

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₃N₅
Molecular Mass
282.5575
Exact Mass
281.00017839
Charge
0
InChI
InChI=1S/C8H9Cl2N5.ClH/c9-4-2-1-3-5(10)6(4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKey
PZRVKJZVIPUVQH-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1c(Cl)cccc1Cl)NC(=N)N.Cl
Isomeric Smiles
Clc1c(c(ccc1)Cl)NC(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-1.8828275
LogD (pH = 7.4)
-0.24370436
Log P
1.9341525
Molar Refractivity
82.516
Polarizability
22.72459
Polar Surface Area
97.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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