Molecule

ID:37044

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂S
Molecular Mass
210.29266
Exact Mass
210.07145069
Charge
0
InChI
InChI=1S/C11H14O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h7H,2-6H2,1H3
InChIKey
BNSTWYGMSUJOFU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(s1)CCCC2
Isomeric Smiles
s1c(cc2c1CCCC2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8311057
LogD (pH = 7.4)
3.8311057
Log P
3.8311057
Molar Refractivity
57.1421
Polarizability
21.753904
Polar Surface Area
26.3
Rotatable Bonds
3
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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