Molecule

ID:67754

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂S
Molecular Mass
239.33388
Exact Mass
239.09799979
Charge
0
InChI
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
InChIKey
DGYXRUYCQAYVDM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)ccs2)OC(C)(C)C
Isomeric Smiles
C1c2c(CCN1C(=O)OC(C)(C)C)scc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7675576
LogD (pH = 7.4)
2.7675576
Log P
2.7675576
Molar Refractivity
64.611
Polarizability
24.89887
Polar Surface Area
29.54
Rotatable Bonds
2
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
Navigation
CAS 230301-73-2|tert-butyl 4H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate|tert-Butyl 6,7-dihydrothieno-[3,2-c]pyridine-5(4H)-carboxylate|tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate|tert... | Molfinder