Showing RIpred-Card for Mobocertinib,1TMS,isomer#2 (RI01721778)

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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 IDRI01721778
Compound Identification
Common NameMobocertinib,1TMS,isomer#2
Structure
Average Molecular Weight657.3459
SMILESC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4101.3594
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices