UCSF

ZINC06091050

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 13 Yes

Popular Name: 1,3-Benzenedicarbonitrile, 2,4,6-trichloro-; 2,4,6-Trichloro-1,3-benzenedicarbonitrile; 2,4,6-Trichloroisophthalonitrile; Isophthalonitrile, 2,4,6-trichloro-; LS-29710 1,3-Benzenedicarbonitrile, 2,4,6…

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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) 3.27 6.4 -5.48 0 2 0 48 231.469 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994023018A1 IBM Patent Data

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