Molecule

ID:14203

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃S
Molecular Mass
290.33756
Exact Mass
290.07251332
Charge
0
InChI
InChI=1S/C14H14N2O3S/c1-9-15-12(8-20-9)10-2-4-11(5-3-10)16-13(17)6-7-14(18)19/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKey
JDWNOTPJIJMTCK-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)c1csc(n1)C)CCC(=O)O
Isomeric Smiles
c1(c2nc(sc2)C)ccc(cc1)NC(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.321789
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.63748544
LogD (pH = 7.4)
-1.1029847
Log P
1.7015811
Molar Refractivity
76.2276
Polarizability
29.89471
Polar Surface Area
79.29
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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