Molecule
ID:80881
General Information
Molecular Formula
C₁₂H₂₂PS
Molecular Mass
229.341841
Exact Mass
229.11798333
Charge
0
InChI
InChI=1S/C12H23PS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey
OLBUKSXQHSVQIJ-UHFFFAOYSA-N
Canonic Smiles
S=P(C1CCCCC1)C1CCCCC1
Isomeric Smiles
P(=S)(C1CCCCC1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4384
LogD (pH = 7.4)
3.4384
Log P
3.4384
Molar Refractivity
68.9112
Polarizability
28.04884
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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