Molecule

ID:17108

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
InChIKey
LWPDFFNCKYNEOT-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(s1)C=O
Isomeric Smiles
c1(sc(cc1)C=O)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1336277
LogD (pH = 7.4)
3.1336277
Log P
3.1336277
Molar Refractivity
43.7132
Polarizability
16.334766
Polar Surface Area
17.07
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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