Molecule

ID:80826

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆NOPS
Molecular Mass
337.375201
Exact Mass
337.06902177
Charge
0
InChI
InChI=1S/C19H16NOPS/c21-22(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20-16-10-4-1-5-11-16/h1-15H,(H,20,23)
InChIKey
PTBBDBGVLQMQBR-UHFFFAOYSA-N
Canonic Smiles
S=C(P(=O)(c1ccccc1)c1ccccc1)Nc1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
5.40955
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.356973
LogD (pH = 7.4)
4.223485
Log P
5.6929
Molar Refractivity
101.0801
Polarizability
39.40762
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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