Molecule

ID:64105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀NO₃PS
Molecular Mass
277.320161
Exact Mass
277.09015114
Charge
0
InChI
InChI=1S/C11H20NO3PS/c1-5-14-16(13,15-6-2)7-10-8-17-11(12-10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKey
FAJGPICWINPMAV-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1csc(n1)C(C)C)OCC
Isomeric Smiles
n1c(scc1CP(=O)(OCC)OCC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5288646
LogD (pH = 7.4)
2.5294988
Log P
2.529507
Molar Refractivity
68.9521
Polarizability
27.491285
Polar Surface Area
48.42
Rotatable Bonds
7
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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