Showing RIpred-Card for Entrectinib,3TMS,isomer#1 (RI01722380)

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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 IDRI01722380
Compound Identification
Common NameEntrectinib,3TMS,isomer#1
Structure
Average Molecular Weight776.3897
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(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3975.7288
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices