Molecule

ID:55433

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀Cl₂N₄
Molecular Mass
185.055
Exact Mass
184.0282517
Charge
0
InChI
InChI=1S/C4H8N4.2ClH/c5-2-1-4-6-3-7-8-4;;/h3H,1-2,5H2,(H,6,7,8);2*1H
InChIKey
FNRKPGHBZYKMIQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1ncn[nH]1.Cl.Cl
Isomeric Smiles
[nH]1c(ncn1)CCN.Cl.Cl
Calculated Properties
JChem
Acid pKa
8.641307
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9619277
LogD (pH = 7.4)
-3.045423
Log P
-2.005115
Molar Refractivity
31.4193
Polarizability
11.401893
Polar Surface Area
67.59
Rotatable Bonds
2
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
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References
Bioactivity
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