Molecule

ID:14328

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O₃S
Molecular Mass
265.28834
Exact Mass
265.05211223
Charge
0
InChI
InChI=1S/C11H11N3O3S/c12-10-14-9(15)11(18-10)5-16-8(17-6-11)7-2-1-3-13-4-7/h1-4,8H,5-6H2,(H2,12,14,15)
InChIKey
UWWGZGFIVKNSPJ-UHFFFAOYSA-N
Canonic Smiles
NC1=NC(=O)C2(S1)COC(OC2)c1cccnc1
Isomeric Smiles
C12(COC(OC1)c1cccnc1)SC(=NC2=O)N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.15876839
LogD (pH = 7.4)
0.19459635
Log P
0.19507763
Molar Refractivity
64.5401
Polarizability
25.507048
Polar Surface Area
86.8
Rotatable Bonds
1
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
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References
Bioactivity
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