Molecule

ID:136246

General Information
Structure
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Molecular Formula
C₁₂H₁₂P₂Se₄
Molecular Mass
534.011202
Exact Mass
537.70750764
Charge
0
InChI
InChI=1S/C12H10P2Se4/c15-13(11-7-3-1-4-8-11)17-14(16,18-13)12-9-5-2-6-10-12/h1-10H
InChIKey
GKYFQRQKPYPLGJ-UHFFFAOYSA-N
Canonic Smiles
[SeH]=P1([Se]P(=[SeH])([Se]1)c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)P1(=[SeH])[Se]P(=[SeH])([Se]1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3936
LogD (pH = 7.4)
4.3936
Log P
4.3936
Molar Refractivity
113.8082
Polarizability
27.487333
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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