Showing RIpred-Card for Mobocertinib,2TMS,isomer#1 (RI01721791)

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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 IDRI01721791
Compound Identification
Common NameMobocertinib,2TMS,isomer#1
Structure
Average Molecular Weight729.3854
SMILESC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5608.2246
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices