UCSF

ZINC00158774

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 22 Yes

Popular Name: 1-[(benzyloxy)carbonyl]-2-indolinecarboxylic acid 1-[(benzyloxy)carbonyl]-2-indoli…

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CAS Numbers: 104261-79-2 , 117483-89-3 , [117483-89-3]

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) 1.25 1.36 -59.12 0 5 -1 69 296.302 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 103 - 105 Acros Organics
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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