UCSF

ZINC00033994

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: 1-(4-nitrophenyl)-1H-pyrrole-2-carbaldehyde 1-(4-nitrophenyl)-1H-pyrrole-2-c…

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CAS Numbers: 30186-41-5 , [30186-41-5]

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) 2.18 2.98 -9.63 0 5 0 67 216.196 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.