Showing RIpred-Card for Entrectinib,2TMS,isomer#1 (RI01722403)

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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 IDRI01722403
Compound Identification
Common NameEntrectinib,2TMS,isomer#1
Structure
Average Molecular Weight704.3502
SMILESCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5670.2373
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices