Molecule

ID:74893

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/h4H,1,5-7H2,2-3H3
InChIKey
YPJHXRAHMUKXAE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CC=C)OCC
Isomeric Smiles
P(=O)(CC=C)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3446995
LogD (pH = 7.4)
1.3446995
Log P
1.3446995
Molar Refractivity
44.9263
Polarizability
18.082176
Polar Surface Area
35.53
Rotatable Bonds
6
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
References
Bioactivity
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