Molecule

ID:77905

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁O₄P
Molecular Mass
250.187101
Exact Mass
250.03949546
Charge
0
InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)P(=O)(Oc1ccccc1)O
Calculated Properties
JChem
Acid pKa
0.8719981
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6777519
LogD (pH = 7.4)
0.6753662
Log P
3.0517344
Molar Refractivity
63.1717
Polarizability
25.003336
Polar Surface Area
55.76
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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