Molecule

ID:62901

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄Cl₂N₄O₂S
Molecular Mass
277.17196
Exact Mass
276.02145207
Charge
0
InChI
InChI=1S/C6H12N4O2S.2ClH/c1-13(11,12)9-6-4-8-10(5-6)3-2-7;;/h4-5,9H,2-3,7H2,1H3;2*1H
InChIKey
ZMFFRAJQLXXFCM-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc(c1)NS(=O)(=O)C.Cl.Cl
Isomeric Smiles
S(=O)(=O)(Nc1cn(nc1)CCN)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
8.145955
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.912932
LogD (pH = 7.4)
-3.6182833
Log P
-2.8862035
Molar Refractivity
59.5944
Polarizability
19.501722
Polar Surface Area
90.01
Rotatable Bonds
3
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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