UCSF

ZINC01386693

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Substance Information

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

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

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CAS Number: 1008035-65-1

Other Names:

MFCD04125259

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) 3.62 11.61 -10.28 0 4 0 47 331.419 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 202 - 204 KeyOrganics

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Rings

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

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