UCSF

ZINC01384106

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 No

Popular Name: 1-(2,6-dichlorobenzyl)tetrahydro-4(1H)-pyridinone 1-(2,6-dichlorobenzyl)tetrahydro…

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CAS Number: 439096-19-2

Other Names:

MFCD03012092

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) 2.57 0.98 -37.14 1 2 1 21 259.156 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 82 - 84 KeyOrganics

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Rings

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