UCSF

ZINC00086757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 2-methyl-5-nitro-1H-indole 2-methyl-5-nitro-1H-indole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7570-47-0 , [7570-47-0]

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) 2.32 0.78 -8.22 1 4 0 62 176.175 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 173 - 178 Acros Organics
MP 176-178° Matrix Scientific
Purity 95%+ Fluorochem
Warnings Irritant Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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