UCSF

ZINC03886827

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 No

Popular Name: 5-nitro-2-(1-pyrrolidinyl)benzenecarbaldehyde 5-nitro-2-(1-pyrrolidinyl)benzen…

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CAS Numbers: 30742-59-7 , [30742-59-7]

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) 2.12 1.28 -8.07 0 5 0 66 220.228 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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