UCSF

ZINC03337379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 14 Yes

Popular Name: 3-(1H-Indol-3-yl)-3-oxopropanenitrile 3-(1H-Indol-3-yl)-3-oxopropaneni…

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CAS Numbers: 20356-45-0 , [20356-45-0]

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) 1.07 5.53 -23.18 1 3 0 57 184.198 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 238 - 240 KeyOrganics
MP 243 - 245 Enamine Building Blocks
MP 243...245 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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