UCSF

ZINC01384417

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 20 No

Popular Name: 3-[(E)-(2,6-dichlorophenyl)methylidene]-2,3-dihydro-4H-chromen-4-one 3-[(E)-(2,6-dichlorophenyl)methy…

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CAS Number: 346670-58-4

Other Names:

MFCD03617839

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) 4.70 1.13 -8.17 0 2 0 26 305.16 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 55 KeyOrganics

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Rings

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

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