UCSF

ZINC02523064

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 1-ethyl-1H-indole-3-carboxylic acid 1-ethyl-1H-indole-3-carboxylic acid

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CAS Numbers: 132797-91-2 , [132797-91-2]

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) 2.10 1.37 -59.05 0 3 -1 45 188.206 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 130 KeyOrganics
MP 138 - 142 Enamine Building Blocks
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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