Molecule

ID:89915

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃S
Molecular Mass
274.33486
Exact Mass
274.06636531
Charge
0
InChI
InChI=1S/C15H14O3S/c1-17-14-8-5-11(10-15(14)18-2)13(16)7-6-12-4-3-9-19-12/h3-10H,1-2H3
InChIKey
OTDMQXNDRHCXPL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)/C=C/c1cccs1
Isomeric Smiles
s1c(ccc1)/C=C/C(=O)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
15.71399
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4878643
LogD (pH = 7.4)
3.4878643
Log P
3.4878643
Molar Refractivity
76.6933
Polarizability
29.02078
Polar Surface Area
35.53
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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