UCSF

ZINC52537265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 No

Popular Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-1H-pyrrole 1-(6-nitro-1,3-benzodioxol-5-yl)…

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CAS Number: 1280538-10-4

Other Names:

MFCD16627981

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) 2.40 6.77 -7.31 0 6 0 69 232.195 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 87 - 88 KeyOrganics

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Rings

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

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