Molecule

ID:79650

General Information
Structure
Molecular Formula
C₂₆H₂₄O₂P₂
Molecular Mass
430.415082
Exact Mass
430.12515327
Charge
0
InChI
InChI=1S/C26H24O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKey
YIMUMKVZUBHTPB-UHFFFAOYSA-N
Canonic Smiles
O=P(c1ccccc1)(c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7108
LogD (pH = 7.4)
5.7108
Log P
5.7108
Molar Refractivity
124.9394
Polarizability
49.668026
Polar Surface Area
34.14
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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