UCSF

ZINC01384511

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Substance Information

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

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

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CAS Number: 1008859-21-9

Other Names:

MFCD04124963

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) 1.15 4.42 -9.09 1 4 0 56 213.24 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 202 - 205 KeyOrganics

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Rings

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

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