Molecule

ID:86362

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂S₃
Molecular Mass
363.51738
Exact Mass
363.04214179
Charge
0
InChI
InChI=1S/C17H17NO2S3/c1-11-12-5-3-4-6-14(12)23-17(11)13-9-22-15(18-13)7-8-21-10-16(19)20-2/h3-6,9H,7-8,10H2,1-2H3
InChIKey
FXHOVKOOYGNZLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSCCc1scc(n1)c1sc2c(c1C)cccc2
Isomeric Smiles
s1c(c(c2c1cccc2)C)c1csc(n1)CCSCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5448685
LogD (pH = 7.4)
4.5450163
Log P
4.545018
Molar Refractivity
96.7192
Polarizability
39.945618
Polar Surface Area
39.19
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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