Molecule

ID:113868

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S
Molecular Mass
266.2731
Exact Mass
266.03612781
Charge
0
InChI
InChI=1S/C11H10N2O4S/c14-8(15)6-13-10(16)9(18-11(13)17)12-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,14,15)
InChIKey
TXUWWXHCSHTZLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)SC(C1=O)Nc1ccccc1
Isomeric Smiles
N1(C(=O)SC(C1=O)Nc1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.5013676
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.8906034
LogD (pH = 7.4)
-2.2752216
Log P
1.0997565
Molar Refractivity
65.7098
Polarizability
24.968826
Polar Surface Area
86.71
Rotatable Bonds
4
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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