Molecule

ID:84281

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₂O₅PS
Molecular Mass
358.349821
Exact Mass
358.07522935
Charge
0
InChI
InChI=1S/C14H19N2O5PS/c1-5-18-14(17)11-8-10(4)16-13(12(11)9-15)21-22(23,19-6-2)20-7-3/h8H,5-7H2,1-4H3
InChIKey
QREQPDSQERABEV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)nc(c1C#N)OP(=S)(OCC)OCC
Isomeric Smiles
P(=S)(Oc1nc(cc(c1C#N)C(=O)OCC)C)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0997586
LogD (pH = 7.4)
3.0997586
Log P
3.0997586
Molar Refractivity
90.6081
Polarizability
35.48437
Polar Surface Area
90.67
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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