Molecule

ID:61587

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃O₂S
Molecular Mass
223.6805
Exact Mass
223.01822526
Charge
0
InChI
InChI=1S/C6H9N3O2S.ClH/c7-9-5-2-1-3-6(4-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H
InChIKey
LMBJEXGDBXGUFM-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)S(=O)(=O)N.Cl
Isomeric Smiles
S(=O)(=O)(c1cc(NN)ccc1)N.Cl
Calculated Properties
JChem
Acid pKa
10.257075
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.09623364
LogD (pH = 7.4)
-0.030529948
Log P
-0.029080804
Molar Refractivity
47.9226
Polarizability
18.21302
Polar Surface Area
98.21
Rotatable Bonds
2
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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