Molecule
ID:83028
General Information
Molecular Formula
C₂₀H₁₆NO₂PS
Molecular Mass
365.385301
Exact Mass
365.06393639
Charge
0
InChI
InChI=1S/C20H16NO2PS/c22-19(16-10-4-1-5-11-16)21-20(25)24(23,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22,25)
InChIKey
BKMAUHDTGFXIBY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NC(=S)P(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
N(C(=S)P(=O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.037717
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.014799
LogD (pH = 7.4)
5.005229
Log P
5.0166
Molar Refractivity
104.8614
Polarizability
41.06899
Polar Surface Area
46.17
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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