Molecule

ID:76786

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₇NS₂
Molecular Mass
347.49638
Exact Mass
347.08024155
Charge
0
InChI
InChI=1S/C21H17NS2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-13H,15-16H2
InChIKey
GMVQVQHIOKTPCX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1SCc1ccccc1)SCc1ccccc1
Isomeric Smiles
N#Cc1c(cc(cc1)SCc1ccccc1)SCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3271666
LogD (pH = 7.4)
6.3271666
Log P
6.3271666
Molar Refractivity
106.621
Polarizability
41.200527
Polar Surface Area
23.79
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
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References
Bioactivity
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