UCSF

ZINC22996414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 16 No

Popular Name: 4-phenyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one oxime 4-phenyl-4,5-dihydro-6H-cyclopen…

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CAS Number: 343966-76-7

Other Names:

MFCD11501699

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) 3.05 5.9 -7.7 1 2 0 33 229.304 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics

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Rings

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

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