UCSF

ZINC01384337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 No

Popular Name: 2-chloro-5-(2-nitrophenethyl)-1,3-thiazole 2-chloro-5-(2-nitrophenethyl)-1,…

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CAS Number: 861209-92-9

Other Names:

MFCD03848405

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) 3.80 7.95 -9.87 0 4 0 59 268.725 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 58 - 59 KeyOrganics

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Rings

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

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