UCSF

ZINC01386618

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 Yes

Popular Name: 5-(2-chloro-6-fluorobenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile 5-(2-chloro-6-fluorobenzyl)-4-ox…

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CAS Number: 1008035-87-7

Other Names:

MFCD04125214

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) 3.54 1.14 -11.18 0 4 0 47 355.8 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 175 - 176 KeyOrganics

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Rings

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

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