Molecule
ID:115153
General Information
Molecular Formula
C₁₀H₈N₂O₃S₂
Molecular Mass
268.31212
Exact Mass
267.99763413
Charge
0
InChI
InChI=1S/C10H8N2O3S2/c1-15-9(14)6-8(17-10(11)12-6)7(13)5-3-2-4-16-5/h2-4H,1H3,(H2,11,12)
InChIKey
UBSJMTPOTTZCPA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(sc1C(=O)c1cccs1)N
Isomeric Smiles
c1(c(nc(s1)N)C(=O)OC)C(=O)c1sccc1
Calculated Properties
JChem
Acid pKa
15.133959
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1813552
LogD (pH = 7.4)
2.1813636
Log P
2.1813638
Molar Refractivity
64.3429
Polarizability
24.185835
Polar Surface Area
82.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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