Molecule

ID:43520

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃S
Molecular Mass
298.35626
Exact Mass
298.06636531
Charge
0
InChI
InChI=1S/C17H14O3S/c1-19-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16(21-15)17(18)20-2/h3-10H,1-2H3
InChIKey
KGSXDHGGAXYIHZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc2c(c1)cc(s2)C(=O)OC
Isomeric Smiles
c1(sc2c(c1)cc(c1ccc(cc1)OC)cc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.474741
LogD (pH = 7.4)
4.474741
Log P
4.474741
Molar Refractivity
82.8069
Polarizability
34.42797
Polar Surface Area
35.53
Rotatable Bonds
4
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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