Molecule

ID:112176

General Information
Structure
MolImage
Molecular Formula
C₃₆H₂₇O₄P
Molecular Mass
554.570941
Exact Mass
554.16469597
Charge
0
InChI
InChI=1S/C36H27O4P/c37-41(38-34-25-13-10-22-31(34)28-16-4-1-5-17-28,39-35-26-14-11-23-32(35)29-18-6-2-7-19-29)40-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H
InChIKey
QEEHNBQLHFJCOV-UHFFFAOYSA-N
Canonic Smiles
O=P(Oc1ccccc1c1ccccc1)(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
Isomeric Smiles
O=P(Oc1ccccc1c1ccccc1)(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
10.02933
LogD (pH = 7.4)
10.02933
Log P
10.02933
Molar Refractivity
162.8402
Polarizability
67.88245
Polar Surface Area
44.76
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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