UCSF

ZINC01384520

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 No

Popular Name: 5-(3-chlorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-chlorobenzyl)-7-(trifluorom…

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CAS Number: 1031212-68-6

Other Names:

MFCD04124973

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) 4.56 0.32 -8.53 0 3 0 23 398.837 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 145 - 147 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.