Molecule

ID:83015

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅PS
Molecular Mass
294.350461
Exact Mass
294.06320811
Charge
0
InChI
InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
VYNGFCUGSYEOOZ-UHFFFAOYSA-N
Canonic Smiles
S=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=S)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4894
LogD (pH = 7.4)
5.4894
Log P
5.4894
Molar Refractivity
91.0567
Polarizability
36.259323
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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