Molecule

ID:74949

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅O₃P
Molecular Mass
178.165961
Exact Mass
178.07588097
Charge
0
InChI
InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4,7H,5-6H2,1-3H3
InChIKey
VBHYLCOEVPIQKH-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(/C=C/C)OCC
Isomeric Smiles
P(=O)(/C=C/C)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5167662
LogD (pH = 7.4)
1.5167662
Log P
1.5167662
Molar Refractivity
45.4703
Polarizability
18.082176
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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