Molecule

ID:93030

General Information
Structure
Molecular Formula
C₁₁H₁₁NO₃S
Molecular Mass
237.27494
Exact Mass
237.04596422
Charge
0
InChI
InChI=1S/C11H11NO3S/c1-15-11(14)6-12-8-4-2-3-5-9(8)16-7-10(12)13/h2-5H,6-7H2,1H3
InChIKey
CGYAXVWTGNEERF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1C(=O)CSc2c1cccc2
Isomeric Smiles
S1c2c(cccc2)N(C(=O)C1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7171119
LogD (pH = 7.4)
0.7171119
Log P
0.7171119
Molar Refractivity
61.238
Polarizability
23.845316
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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