Molecule

ID:15973

General Information
Structure
Molecular Formula
C₁₄H₁₆O₂Se₂
Molecular Mass
374.19564
Exact Mass
375.94807175
Charge
0
InChI
InChI=1S/C14H16O2Se2/c1-15-11-5-9-6-12(16-2)14(18-4)8-10(9)7-13(11)17-3/h5-8H,1-4H3
InChIKey
HOAHNAYDJCBDMR-UHFFFAOYSA-N
Canonic Smiles
C[Se]c1cc2cc([Se]C)c(cc2cc1OC)OC
Isomeric Smiles
c1(c(cc2c(c1)cc(c(c2)[Se]C)OC)[Se]C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4352
LogD (pH = 7.4)
2.4352
Log P
2.4352
Molar Refractivity
91.5952
Polarizability
26.280546
Polar Surface Area
18.46
Rotatable Bonds
4
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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