UCSF

ZINC04272216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 No

Popular Name: 1-Methyl-5-nitro-1H-indole 1-Methyl-5-nitro-1H-indole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29906-67-0 , [29906-67-0]

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) 2.16 2.24 -8.98 0 4 0 51 176.175 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics
MP 169-171° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% 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.