UCSF

ZINC12984556

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 No

Popular Name: 6-bromo-1H-indole-2-carbaldehyde 6-bromo-1H-indole-2-carbaldehyde

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CAS Numbers: 105191-12-6 , [105191-12-6]

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) 2.97 4.68 -7.59 1 2 0 33 224.057 1 ↓
Ref Reference (pH 7) 2.54 4.62 -14.33 0 2 0 29 224.057 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics
MP 181-183° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.