UCSF

ZINC01678799

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 2,3-DIHYDRO-1H-BENZ[E]INDEN-1-ONE 2,3-DIHYDRO-1H-BENZ[E]INDEN-1-ONE

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CAS Numbers: 6342-87-6 , 723-12-6

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) 2.88 1.17 -10.26 0 1 0 17 182.222 0 ↓

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