Molecule

ID:85377

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₆O₂
Molecular Mass
293.11
Exact Mass
292.02422895
Charge
0
InChI
InChI=1S/C8H9ClN6O2.ClH/c9-5-2-1-4(15(16)17)3-6(5)13-8(12)14-7(10)11;/h1-3H,(H6,10,11,12,13,14);1H
InChIKey
FUUQLKFBVYGIQG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(NC(=N)NC(=N)N)c(cc1)Cl.Cl
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)NC(=N)NC(=N)N)Cl)[O-].Cl
Calculated Properties
JChem
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-2.3250346
LogD (pH = 7.4)
-0.64787525
Log P
1.270092
Molar Refractivity
85.0359
Polarizability
22.801867
Polar Surface Area
143.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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