Molecule

ID:128547

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆P₂S₄
Molecular Mass
316.362162
Exact Mass
315.88275745
Charge
0
InChI
InChI=1S/C10H6P2S4/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14,15-11)16-11/h1-6H
InChIKey
NYHOAPMWYNAQJE-UHFFFAOYSA-N
Canonic Smiles
S=P12SP(=S)(S1)c1c3c2cccc3ccc1
Isomeric Smiles
S=P12SP(=S)(S1)c1c3c(cccc23)ccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7546
LogD (pH = 7.4)
4.7546
Log P
4.7546
Molar Refractivity
82.12
Polarizability
35.940807
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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