Molecule

ID:127477

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀NO₃PS
Molecular Mass
361.395061
Exact Mass
361.09015114
Charge
0
InChI
InChI=1S/C18H20NO3PS/c1-3-21-23(20,22-4-2)13-14-9-11-15(12-10-14)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3
InChIKey
FVYRUSCZCWSFLT-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1ccc(cc1)c1nc2c(s1)cccc2)OCC
Isomeric Smiles
O=P(OCC)(OCC)Cc1ccc(c2nc3ccccc3s2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.483979
LogD (pH = 7.4)
4.4841223
Log P
4.484124
Molar Refractivity
106.5485
Polarizability
39.760353
Polar Surface Area
48.42
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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