Molecule

ID:82731

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂S
Molecular Mass
258.33546
Exact Mass
258.07145069
Charge
0
InChI
InChI=1S/C15H14O2S/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
RZFYMLIOQNVJHF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CSc1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)CSc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.225635
LogD (pH = 7.4)
4.225635
Log P
4.225635
Molar Refractivity
75.504
Polarizability
29.232891
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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