UCSF

ZINC01385063

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 13 No

Popular Name: 2-chloro-N-ethyl-N-phenylacetamide 2-chloro-N-ethyl-N-phenylacetamide

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CAS Numbers: 39086-61-8 , [39086-61-8]

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) 2.34 6.64 -10.1 0 2 0 20 197.665 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
Warnings IRRITANT Matrix Scientific

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Rings

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

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