Molecule

ID:135467

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃O₃P
Molecular Mass
248.214281
Exact Mass
248.06023091
Charge
0
InChI
InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
HPUPGAFDTWIMBR-UHFFFAOYSA-N
Canonic Smiles
CP(=O)(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
CP(=O)(Oc1ccccc1)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1909888
LogD (pH = 7.4)
3.1909888
Log P
3.1909888
Molar Refractivity
65.6978
Polarizability
26.38001
Polar Surface Area
35.53
Rotatable Bonds
4
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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