Molecule

ID:83262

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃S
Molecular Mass
223.24836
Exact Mass
223.03031415
Charge
0
InChI
InChI=1S/C10H9NO3S/c1-13-7-3-4-9(14-2)8(5-7)10(12)11-6-15/h3-5H,1-2H3
InChIKey
CJRXQGBOCFAYEV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N=C=S)OC
Isomeric Smiles
N(=C=S)C(=O)c1cc(ccc1OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9213109
LogD (pH = 7.4)
1.9213109
Log P
1.9213109
Molar Refractivity
59.3952
Polarizability
22.979805
Polar Surface Area
47.89
Rotatable Bonds
3
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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