UCSF

ZINC02020050

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 10 Yes

Popular Name: Oxindole Oxindole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 118914-78-6 , 16990-73-1 , 199328-31-9 , 59-48-3 , [16990-73-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.06 0.87 -5.47 2 2 0 36 133.15 0 ↓
Ref Reference (pH 7) 1.11 2.94 -6.35 1 2 0 29 133.15 0 ↓
Hi High (pH 8-9.5) 2.06 1.64 -44.59 1 2 -1 39 132.142 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 121 - 123 Enamine Building Blocks
MP 121...123 Enamine Building Blocks
Mp [°C] 123 - 128 Acros Organics
MP 123-128 °C(lit.) Indofine
MP 123-128° Oakwood Chemical
MP 124-126o C Indofine
Melting_Point 124-128? Alfa-Aesar
Melting_Point 124-128° Alfa-Aesar
MP 125 - 127 Enamine Building Blocks
MP 126 TCI
Boiling_Point 194-196?/17mm Alfa-Aesar
Boiling_Point 194-196°/17mm Alfa-Aesar
BP [°C] 227 (p=73 torr) Acros Organics
BP 227 / 23 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0122494A2; EP0200915A1; EP0280951A1; EP0347766A2; EP0347766B1; EP0462812A2; EP0462812B1; EP0462830A2; EP0462830B1; EP0462831A2; EP0462831B1; EP0468231A2; EP0468231B1; EP0500205A1; EP0530537A1; EP0530537B1; EP0623614A1; EP0623614B1; EP0624584A1; EP062458 IBM Patent Data
PUBCHEM_PATENT_ID EP0658159A1; EP0658159B1; EP0684820A1; EP0752985A1; EP0752985B1; EP0987263A2; US5576330; US5656654; US5840745; WO1995001349A1; WO1995017181A1; WO1996022976A1 IBM Patent Data
Patent Database Links EP0795556; EP0815859; EP0901789; EP0965586; EP1156037; EP1179532; EP1247803; EP1659121; EP1757292; US2005043388; US2005137241; US2005197382; US2005261263; US2006030717; US2006166982; US2006276449; WO2005040116; WO2005041957; WO2005060947; WO2005097744; WO ChEBI
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Reactome Database Links REACT_13592 ChEBI
SOLUBILITY Soluble in clear pale yellow in acetone Indofine
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Miscellaneous substrates

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