Molecule

ID:75017

General Information
Structure
Molecular Formula
C₁₆H₁₇O₂P
Molecular Mass
272.278741
Exact Mass
272.09661641
Charge
0
InChI
InChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey
PSFGJGLKZFVIHY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CP(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3409
LogD (pH = 7.4)
3.3409
Log P
3.3409
Molar Refractivity
77.4476
Polarizability
30.777348
Polar Surface Area
26.3
Rotatable Bonds
6
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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