Molecule

ID:89695

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂S
Molecular Mass
220.24772
Exact Mass
220.03064851
Charge
0
InChI
InChI=1S/C10H8N2O2S/c11-10-12-7(8(15-10)9(13)14)6-4-2-1-3-5-6/h1-5H,(H2,11,12)(H,13,14)
InChIKey
VNKAOZFTIGAIPR-UHFFFAOYSA-N
Canonic Smiles
Nc1sc(c(n1)c1ccccc1)C(=O)O
Isomeric Smiles
n1c(sc(c1c1ccccc1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.0558176
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.8363336
LogD (pH = 7.4)
-0.82670873
Log P
2.3104606
Molar Refractivity
57.2446
Polarizability
22.540361
Polar Surface Area
76.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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