Molecule

ID:85506

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₂S
Molecular Mass
308.39414
Exact Mass
308.08710075
Charge
0
InChI
InChI=1S/C19H16O2S/c1-2-21-15-10-7-14(8-11-15)9-12-18(20)17-13-22-19-6-4-3-5-16(17)19/h3-13H,2H2,1H3
InChIKey
TVXQOVILOGDDFJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)/C=C/C(=O)c1csc2c1cccc2
Isomeric Smiles
s1cc(c2c1cccc2)C(=O)/C=C/c1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
16.380716
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.965487
LogD (pH = 7.4)
4.965487
Log P
4.965487
Molar Refractivity
91.4289
Polarizability
35.906338
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
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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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