Showing RIpred-Card for Selumetinib,3TMS,isomer#1 (RI01722061)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722061
Compound Identification
Common NameSelumetinib,3TMS,isomer#1
Structure
Average Molecular Weight672.1186
SMILESCN1C=NC2=C(F)C(N(C3=CC=C(Br)C=C3Cl)[Si](C)(C)C)=C(C(=NOCCO[Si](C)(C)C)O[Si](C)(C)C)C=C21
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3297.9282
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices