UCSF

ZINC01384562

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 No

Popular Name: 4-[(3-chloro-4-methoxyphenyl)methylene]-2-(2-iodophenyl)-1,3-oxazol-5(4H)-one 4-[(3-chloro-4-methoxyphenyl)met…

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CAS Number: 861211-36-1

Other Names:

MFCD04125000

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) 5.01 0.87 -12.31 0 4 0 52 439.636 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 174 - 176 KeyOrganics

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Rings

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

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