UCSF

ZINC05841858

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 10 No

Popular Name: 4-Chlorobenzenethiocyanate; 4-Chlorophenylthiocyanate; BRN 2044483; LS-152653; Thiocyanic acid, 4-chlorophenyl ester; Thiocyanic acid, p-chlorophenyl ester; p-Chlorophenylthiocyanate 4-Chlorobenzenethiocyanate; 4-Ch…

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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) 2.82 5.59 -4.47 0 1 0 24 169.636 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000075202A1; WO2000075203A1; WO2000075204A1 IBM Patent Data

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