Molecule

ID:134401

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀NaO₅P
Molecular Mass
264.146931
Exact Mass
264.01635433
Charge
0
InChI
InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
InChIKey
NSWUDGODQXQNON-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)(Oc1cccc2c1cccc2)O.O.[Na+]
Isomeric Smiles
c1ccc2c(c1)cccc2OP(=O)(O)[O-].O.[Na+]
Calculated Properties
JChem
Acid pKa
1.7687037
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3771822
LogD (pH = 7.4)
-1.1169077
Log P
2.0052922
Molar Refractivity
54.2403
Polarizability
22.559288
Polar Surface Area
69.59
Rotatable Bonds
2
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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