UCSF

ZINC06681894

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 14 No

Popular Name: 2-Chloro-1-chroman-6-yl-ethanone 2-Chloro-1-chroman-6-yl-ethanone

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CAS Number: 889939-45-1

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) 2.61 6.22 -8.45 0 2 0 26 210.66 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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