Molecule

ID:5359

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇O₅P
Molecular Mass
260.223441
Exact Mass
260.08136027
Charge
0
InChI
InChI=1S/C11H17O5P/c1-4-14-17(12,15-5-2)16-11-8-6-10(13-3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey
GDWXALVJBAAUJN-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Oc1ccc(cc1)OC)OCC
Isomeric Smiles
O=P(OCC)(OCC)Oc1ccc(OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3276815
LogD (pH = 7.4)
2.3276815
Log P
2.3276815
Molar Refractivity
63.8368
Polarizability
25.615221
Polar Surface Area
53.99
Rotatable Bonds
7
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.95
LOG S
-1.75
Solubility (Water)
4.59e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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