Molecule

ID:90203

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂S
Molecular Mass
210.29266
Exact Mass
210.07145069
Charge
0
InChI
InChI=1S/C11H14O2S/c1-3-13-11(12)8-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey
ZLQPAONBGBXGFN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)SC
Isomeric Smiles
O=C(Cc1ccc(cc1)SC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7419133
LogD (pH = 7.4)
2.7419133
Log P
2.7419133
Molar Refractivity
59.6422
Polarizability
23.337795
Polar Surface Area
26.3
Rotatable Bonds
5
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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