UCSF

ZINC13398708

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 No

Popular Name: 4-Hydroxy-3-[(E)-(phenylimino)methyl]-2H-chromen-2-one 4-Hydroxy-3-[(E)-(phenylimino)me…

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CAS Numbers: , 360762-44-3 , 52281-05-7 , 71592-11-5

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) 3.18 7.34 -46.73 0 4 -1 66 264.26 2 ↓
Lo Low (pH 4.5-6) 2.66 8.46 -9.7 1 4 0 59 265.268 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 207 - 209 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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