Molecule

ID:136639

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅O₃PS
Molecular Mass
342.348661
Exact Mass
342.04795197
Charge
0
InChI
InChI=1S/C18H15O3PS/c19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,19,20,21)
InChIKey
HXVJDHROZFWXHT-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1ccccc1P(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)P(c1ccccc1)c1ccccc1S(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-1.5041177
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6446079
LogD (pH = 7.4)
1.6446002
Log P
3.9084
Molar Refractivity
92.2454
Polarizability
36.792072
Polar Surface Area
54.37
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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