Molecule

ID:91449

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-2-9-12(10,11)7-4-3-5-8-6-7/h3-6,9H,2H2,1H3
InChIKey
IWPLNORLLKQJBC-UHFFFAOYSA-N
Canonic Smiles
CCNS(=O)(=O)c1cccnc1
Isomeric Smiles
O=S(=O)(c1cccnc1)NCC
Calculated Properties
JChem
Acid pKa
9.4680605
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.05796857
LogD (pH = 7.4)
-0.06118602
Log P
-0.05791182
Molar Refractivity
45.7043
Polarizability
18.426596
Polar Surface Area
59.06
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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