Molecule
ID:37357
General Information
Molecular Formula
C₁₁H₇NO₃S₂
Molecular Mass
265.30818
Exact Mass
264.98673509
Charge
0
InChI
InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-3-1-2-4-7(6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)/b8-5+
InChIKey
SGVBAFTXLZKMIP-VMPITWQZSA-N
Canonic Smiles
SC1=NC(=O)/C(=C\c2ccccc2C(=O)O)/S1
Isomeric Smiles
C\1(=C/c2c(cccc2)C(=O)O)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
3.711475
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4737411
LogD (pH = 7.4)
-1.8643374
Log P
2.388557
Molar Refractivity
69.9259
Polarizability
26.14601
Polar Surface Area
66.73
Rotatable Bonds
2
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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