UCSF

ZINC00001821

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: 4-Isothiocyanato-4'-nitrodiphenyl ether 4-Isothiocyanato-4'-nitrodipheny…

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CAS Numbers: 19881-18-6 , [19881-18-6]

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) 5.02 8.33 -8.34 0 5 0 67 272.285 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 122-124° Fluorochem
Warnings IRRITANT-HARMFUL Matrix Scientific

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

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