UCSF

ZINC39947122

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 25 No

Popular Name: 3,6-dimethyl 1,8,9,10,11,11-hexachlorotricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-3,6-dicarboxylate 3,6-dimethyl 1,8,9,10,11,11-hexa…

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CAS Number: 1221723-51-8

Other Names:

MFCD13368195

MFCD19442661

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) 4.89 11.1 -8.49 0 4 0 53 464.943 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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