Molecule

ID:123430

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁O₄P
Molecular Mass
224.234401
Exact Mass
224.11774578
Charge
0
InChI
InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKey
RXPQRKFMDQNODS-UHFFFAOYSA-N
Canonic Smiles
CCCOP(=O)(OCCC)OCCC
Isomeric Smiles
P(=O)(OCCC)(OCCC)OCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7517693
LogD (pH = 7.4)
2.7517693
Log P
2.7517693
Molar Refractivity
55.9166
Polarizability
22.723223
Polar Surface Area
44.76
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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