Molecule

ID:76714

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₃S₂
Molecular Mass
310.39186
Exact Mass
310.04458432
Charge
0
InChI
InChI=1S/C13H14N2O3S2/c1-3-18-12(16)10-11(14)15(13(19)20-10)8-6-4-5-7-9(8)17-2/h4-7H,3,14H2,1-2H3
InChIKey
DIMYACCFVLIZQP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(=S)n(c1N)c1ccccc1OC
Isomeric Smiles
n1(c2c(cccc2)OC)c(c(C(=O)OCC)sc1=S)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9190092
LogD (pH = 7.4)
2.9190097
Log P
2.9190097
Molar Refractivity
93.7255
Polarizability
32.51498
Polar Surface Area
64.79
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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