Molecule

ID:5555

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅O₅PS
Molecular Mass
278.261861
Exact Mass
278.03778121
Charge
0
InChI
InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m0/s1
InChIKey
FFIGWLBWBXCVHW-KRWDZBQOSA-N
Canonic Smiles
O=[S@](c1ccccc1O)CCCCP(=O)(O)O
Isomeric Smiles
OP(=O)(O)CCCC[S@](=O)c1ccccc1O
Calculated Properties
JChem
Acid pKa
1.8105587
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.829262
LogD (pH = 7.4)
-1.9518363
Log P
0.4604851
Molar Refractivity
67.2155
Polarizability
26.188087
Polar Surface Area
94.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.74
LOG S
-1.26
Solubility (Water)
1.54e+01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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