UCSF

ZINC00391973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 1,3,5-Trichlorobenzene 1,3,5-Trichlorobenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108-70-3 , 1198-60-3

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) 3.90 6.02 -0.75 0 0 0 0 181.449 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 208? Alfa-Aesar
Boiling_Point 208° Alfa-Aesar
ALOGPS_SOLUBILITY 3.10e-02 g/l DrugBank-experimental
Melting_Point 62-65? Alfa-Aesar
Melting_Point 62-65° Alfa-Aesar
MP 63 - 65 Enamine Building Blocks
MP 63...65 Enamine Building Blocks
MP 64 - 65 Enamine Building Blocks
MP 65 - 65 Enamine Building Blocks
MP 65 - 67 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

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