Molecule

ID:77295

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS₂
Molecular Mass
209.33104
Exact Mass
209.03329136
Charge
0
InChI
InChI=1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1
InChIKey
SLDUGQISGRPGAW-VIFPVBQESA-N
Canonic Smiles
S=C1SC[C@@H](N1)Cc1ccccc1
Isomeric Smiles
N1[C@@H](Cc2ccccc2)CSC1=S
Calculated Properties
JChem
Acid pKa
7.441936
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.0944986
LogD (pH = 7.4)
2.8610902
Log P
3.098869
Molar Refractivity
62.5448
Polarizability
24.66528
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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