Molecule

ID:41617

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂S₂
Molecular Mass
300.78436
Exact Mass
299.97939722
Charge
0
InChI
InChI=1S/C11H9ClN2O2S2/c1-2-16-10(15)9-11(18-14-13-9)17-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3
InChIKey
LSMQTEYOAVHDNS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnsc1Sc1ccc(cc1)Cl
Isomeric Smiles
c1(c(nns1)C(=O)OCC)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.066909
LogD (pH = 7.4)
4.066909
Log P
4.066909
Molar Refractivity
73.4067
Polarizability
28.166866
Polar Surface Area
52.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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