Showing RIpred-Card for Entrectinib,1TBDMS,isomer#1 (RI01722381)

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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 IDRI01722381
Compound Identification
Common NameEntrectinib,1TBDMS,isomer#1
Structure
Average Molecular Weight674.3576
SMILESCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(NC3CCOCC3)=C2)CC1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4330.4785
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices