Molecule

ID:31764

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKey
STKNXTNVBKLVRQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CS(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(Cc1cc(N)ccc1)N
Calculated Properties
JChem
Acid pKa
11.146995
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5011407
LogD (pH = 7.4)
-0.48775628
Log P
-0.48751312
Molar Refractivity
47.5037
Polarizability
18.645765
Polar Surface Area
86.18
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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