Molecule

ID:86253

General Information
Structure
Molecular Formula
C₁₂H₉OPS₃
Molecular Mass
296.368021
Exact Mass
295.95531454
Charge
0
InChI
InChI=1S/C12H9OPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H
InChIKey
OKBJXDNWMXROFT-UHFFFAOYSA-N
Canonic Smiles
O=P(c1cccs1)(c1cccs1)c1cccs1
Isomeric Smiles
P(=O)(c1cccs1)(c1cccs1)c1cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5369
LogD (pH = 7.4)
3.5369
Log P
3.5369
Molar Refractivity
71.8629
Polarizability
28.959522
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
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References
Bioactivity
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