Molecule

ID:91363

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKey
HGZULNNLLFYOFI-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1cccnc1)C
Isomeric Smiles
O=S(=O)(c1cccnc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.19105874
LogD (pH = 7.4)
-0.1910439
Log P
-0.1910437
Molar Refractivity
45.8524
Polarizability
18.426472
Polar Surface Area
50.27
Rotatable Bonds
1
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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