UCSF

ZINC00058616

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 2-Methyl-5-nitro-1H-indole-3-carbaldehyde 2-Methyl-5-nitro-1H-indole-3-car…

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CAS Numbers: 3558-17-6 , [3558-17-6]

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) 2.03 1.14 -18.58 1 5 0 78 204.185 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 305-307° (dec.) Fluorochem
MP 305-307°(dec) Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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