UCSF

ZINC01403828

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 No

Popular Name: N-methyl-5-nitro-1-benzothiophene-2-carboxamide N-methyl-5-nitro-1-benzothiophen…

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CAS Numbers: , 478248-42-9

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) 2.27 -1.2 -10.4 1 5 0 74 236.252 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 255 - 259 KeyOrganics

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