UCSF

ZINC03878504

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 17 No

Popular Name: 1-(2-Chloro-4-nitrophenyl)-3-methylpiperazine hydrochloride 1-(2-Chloro-4-nitrophenyl)-3-met…

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CAS Numbers: 299425-75-5 , 392710-17-7

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) 2.58 7.06 -47.45 2 5 1 66 256.713 2 ↓
Hi High (pH 8-9.5) 2.58 5.82 -4.42 1 5 0 61 255.705 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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