UCSF

ZINC03883308

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

Popular Name: ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate ethyl 2-(5-methoxy-1H-indol-3-yl…

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CAS Numbers: 14771-33-6 , [14771-33-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 5.72 -12.38 1 5 0 68 247.25 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.180000000000000e+002 - 2.200000000000000e+002 KeyOrganics
melting_point 218 - 220 KeyOrganics
MP 218-220° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )