Molecule

ID:80673

General Information
Structure
MolImage
Molecular Formula
C₉H₇NOS₂
Molecular Mass
209.28798
Exact Mass
208.99690585
Charge
0
InChI
InChI=1S/C9H7NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-5H,1H3
InChIKey
OTEBKLSFEFZNAG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1csc(n1)C
Isomeric Smiles
n1c(C)scc1c1ccc(s1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4100282
LogD (pH = 7.4)
2.4102657
Log P
2.4102688
Molar Refractivity
53.7293
Polarizability
21.39822
Polar Surface Area
29.96
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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