Molecule

ID:74620

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄S₂
Molecular Mass
338.40196
Exact Mass
338.03949894
Charge
0
InChI
InChI=1S/C14H14N2O4S2/c1-10-4-6-11(7-5-10)22(18,19)9-13(15)16-20-14(17)12-3-2-8-21-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKey
AJMFJMFDZSBLJU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)C/C(=N/OC(=O)c1cccs1)/N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)C/C(=N/OC(=O)c1cccs1)/N
Calculated Properties
JChem
Acid pKa
19.031136
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.6311524
LogD (pH = 7.4)
2.631179
Log P
2.6311793
Molar Refractivity
83.4163
Polarizability
32.714603
Polar Surface Area
98.82
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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