Molecule

ID:92085

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁O₅P
Molecular Mass
252.244501
Exact Mass
252.1126604
Charge
0
InChI
InChI=1S/C10H21O5P/c1-3-14-16(11,15-4-2)9-13-10-7-5-6-8-12-10/h10H,3-9H2,1-2H3
InChIKey
RUPVGTAIRUGQIQ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(COC1CCCCO1)OCC
Isomeric Smiles
P(=O)(COC1OCCCC1)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5211167
LogD (pH = 7.4)
1.5211167
Log P
1.5211167
Molar Refractivity
60.0845
Polarizability
24.582003
Polar Surface Area
53.99
Rotatable Bonds
7
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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