UCSF

ZINC01384832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Popular Name: 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide 4-(2-chlorobenzoyl)-N,N-dimethyl…

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CAS Number: 338404-09-4

Other Names:

MFCD00141879

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) 2.54 6.77 -18.11 1 4 0 53 276.723 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 166 KeyOrganics

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Rings

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

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