Showing RIpred-Card for Entrectinib,1TMS,isomer#2 (RI01722401)

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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 IDRI01722401
Compound Identification
Common NameEntrectinib,1TMS,isomer#2
Structure
Average Molecular Weight632.3107
SMILESCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6038.9907
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices