UCSF

ZINC15443719

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 20 No

Popular Name: 1-[4-Nitro-3-(trifluoromethyl)phenyhomopiperazine hydrochloride 1-[4-Nitro-3-(trifluoromethyl)ph…

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CAS Numbers: 1185298-60-5 , [1185298-60-5]

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) 2.39 5.43 -55.81 2 5 1 66 290.265 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 216-219° Fluorochem
Warnings IRRITANT Matrix Scientific

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