Molecule

ID:127468

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅OPS₂
Molecular Mass
246.329261
Exact Mass
246.03019373
Charge
0
InChI
InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
KVGLBTYUCJYMND-UHFFFAOYSA-N
Canonic Smiles
CCP(=S)(Sc1ccccc1)OCC
Isomeric Smiles
S=P(Sc1ccccc1)(OCC)CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.59
LogD (pH = 5.5)
3.59
Log P
3.59
Rotatable Bonds
5
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
9.23
Polarizability
25.41
Molar Refractivity
67.94
LOG S
-3.82
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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