Molecule
ID:40938
General Information
Molecular Formula
C₁₁H₈O₂S
Molecular Mass
204.24502
Exact Mass
204.0245005
Charge
0
InChI
InChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H
InChIKey
KQQAWPFBGKQMAF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Sc1ccccc1
Isomeric Smiles
c1(oc(cc1)C=O)Sc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0240352
LogD (pH = 7.4)
3.0240352
Log P
3.0240352
Molar Refractivity
56.9703
Polarizability
21.735882
Polar Surface Area
30.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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