Molecule

ID:74977

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇O₅P
Molecular Mass
224.191341
Exact Mass
224.08136027
Charge
0
InChI
InChI=1S/C8H17O5P/c1-11-8(9)6-4-5-7-14(10,12-2)13-3/h4-7H2,1-3H3
InChIKey
MLNVYQMAHFQICS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCP(=O)(OC)OC
Isomeric Smiles
P(=O)(OC)(CCCCC(=O)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.40966618
LogD (pH = 7.4)
0.40966618
Log P
0.40966618
Molar Refractivity
51.1755
Polarizability
21.043863
Polar Surface Area
61.83
Rotatable Bonds
8
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
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References
Bioactivity
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