Molecule

ID:83257

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄NOPS
Molecular Mass
393.481521
Exact Mass
393.13162202
Charge
0
InChI
InChI=1S/C23H24NOPS/c1-23(2,3)18-11-10-12-19(17-18)24-22(27)26(25,20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-17H,1-3H3,(H,24,27)
InChIKey
IORFSCBGLAPGHZ-UHFFFAOYSA-N
Canonic Smiles
S=C(P(=O)(c1ccccc1)c1ccccc1)Nc1cccc(c1)C(C)(C)C
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)Nc1cc(ccc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
5.3837576
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.970514
LogD (pH = 7.4)
5.8434052
Log P
7.3201
Molar Refractivity
119.746
Polarizability
46.711143
Polar Surface Area
29.1
Rotatable Bonds
5
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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