UCSF

ZINC02479848

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 No

Popular Name: 5-(3-Nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 5-(3-Nitrophenyl)-2,4-dihydro-3H…

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CAS Numbers: , 6219-47-2

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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) 2.16 6.18 -31.05 2 6 0 89 222.229 2 ↓
Mid Mid (pH 6-8) 2.16 6.06 -46.46 1 6 -1 87 221.221 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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