Molecule

ID:132361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈NaO₄P
Molecular Mass
246.131651
Exact Mass
246.00578965
Charge
0
InChI
InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKey
GHMHDIFFBHLXTJ-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)(Oc1ccc2c(c1)cccc2)O.[Na+]
Isomeric Smiles
c1ccc2cc(ccc2c1)OP(=O)(O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
1.7865009
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3756417
LogD (pH = 7.4)
-1.1054822
Log P
2.0052922
Molar Refractivity
54.2403
Polarizability
22.555466
Polar Surface Area
69.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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