Molecule

ID:29853

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-14/h1-4,14H,5-6H2
InChIKey
UHOPWFKONJYLCF-UHFFFAOYSA-N
Canonic Smiles
SCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CCS
Calculated Properties
JChem
Acid pKa
10.064169
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.322448
LogD (pH = 7.4)
1.3215867
Log P
1.322459
Molar Refractivity
56.6864
Polarizability
20.886063
Polar Surface Area
37.38
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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