Molecule

ID:42982

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄NaO₃PS
Molecular Mass
364.330491
Exact Mass
364.02989622
Charge
0
InChI
InChI=1S/C18H15O3PS.Na/c19-23(20,21)18-13-11-17(12-14-18)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-14H,(H,19,20,21);/q;+1/p-1
InChIKey
FECLFAPMMNLAPS-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Na+]
Isomeric Smiles
S(=O)(=O)(c1ccc(P(c2ccccc2)c2ccccc2)cc1)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-1.5841712
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6446066
LogD (pH = 7.4)
1.6446
Log P
3.9084
Molar Refractivity
91.1237
Polarizability
36.70447
Polar Surface Area
57.2
Rotatable Bonds
4
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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