Molecule

ID:79305

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₃N₅
Molecular Mass
282.5575
Exact Mass
281.00017839
Charge
0
InChI
InChI=1S/C8H9Cl2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKey
AMMSXYWPWHREDJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=N)Nc1ccc(c(c1)Cl)Cl.Cl
Isomeric Smiles
N(c1cc(c(cc1)Cl)Cl)C(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-2.3934116
LogD (pH = 7.4)
-0.55411816
Log P
1.9341525
Molar Refractivity
82.516
Polarizability
22.731041
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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