Molecule

ID:136652

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂S₃
Molecular Mass
324.48288
Exact Mass
324.01011338
Charge
0
InChI
InChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H
InChIKey
UBHPRZXDFVCNHZ-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1cc(cc(c1)c1cccs1)c1cccs1
Isomeric Smiles
c1cc(sc1)c1cc(cc(c1)c1cccs1)c1cccs1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.246366
LogD (pH = 7.4)
6.246366
Log P
6.246366
Molar Refractivity
92.1363
Polarizability
39.266975
Polar Surface Area
0.0
Rotatable Bonds
3
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
References
Bioactivity
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