UCSF

ZINC05019262

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 16 Yes

Popular Name: 6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile 6-Chloro-2,3-dihydro-3-oxo-4H-1,…

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CAS Number: 351003-20-8

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) 1.34 5.4 -8.89 0 4 0 53 236.658 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 130-132? Alfa-Aesar
Melting_Point 130-132° Alfa-Aesar

Activity (Go SEA)

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