Molecule

ID:37390

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS₃
Molecular Mass
267.39026
Exact Mass
266.98462691
Charge
0
InChI
InChI=1S/C11H9NOS3/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChIKey
SEIFTQHMDCKSIB-RMKNXTFCSA-N
Canonic Smiles
CSc1ccc(cc1)/C=C\1/SC(=NC1=O)S
Isomeric Smiles
C\1(=C/c2ccc(cc2)SC)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.847453
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2118468
LogD (pH = 7.4)
2.3470464
Log P
3.3591912
Molar Refractivity
75.4286
Polarizability
28.66971
Polar Surface Area
29.43
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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