UCSF

ZINC00269794

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 3-Chloro-1H-indole-2-carbaldehyde 3-Chloro-1H-indole-2-carbaldehyde

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CAS Numbers: 110912-15-7 , [110912-15-7]

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) 2.80 4.57 -5.39 1 2 0 33 179.606 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 171-173° Matrix Scientific
Purity 95% Fluorochem
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.