Molecule

ID:128825

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄NO₅PS
Molecular Mass
291.260621
Exact Mass
291.03303018
Charge
0
InChI
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
LCCNCVORNKJIRZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC
Isomeric Smiles
S=P(Oc1ccc(cc1)[N+](=O)[O-])(OCC)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.32
LogD (pH = 5.5)
3.32
Log P
3.32
Rotatable Bonds
7
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
70.83
Polarizability
26.99
Molar Refractivity
71.69
LOG S
-4.51
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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