Molecule

ID:86067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉PS₃
Molecular Mass
280.368621
Exact Mass
279.96039992
Charge
0
InChI
InChI=1S/C12H9PS3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9H
InChIKey
KUCPTMZJPDVWJL-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)P(c1cccs1)c1cccs1
Isomeric Smiles
P(c1cccs1)(c1cccs1)c1cccs1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8883
LogD (pH = 7.4)
3.8883
Log P
3.8883
Molar Refractivity
70.42
Polarizability
28.198507
Polar Surface Area
0.0
Rotatable Bonds
3
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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