Molecule

ID:4066

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅O₃P
Molecular Mass
166.155261
Exact Mass
166.07588097
Charge
0
InChI
InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKey
BLKXLEPPVDUHBY-UHFFFAOYSA-N
Canonic Smiles
CC(OP(=O)OC(C)C)C
Isomeric Smiles
CC(C)OP(=O)OC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5172
LogD (pH = 7.4)
1.5172
Log P
1.5172
Molar Refractivity
39.8715
Polarizability
16.503685
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.93
LOG S
-1.37
Solubility (Water)
7.09e+00 g/l
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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