UCSF

ZINC01589957

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Substance Information

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

Popular Name: 1-(5-Isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one 1-(5-Isopropyl-2-methyl-cyclohex…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31375-17-4 , [31375-17-4]

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) 4.45 2.8 -4.29 0 1 0 17 194.318 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0921824A1; EP0922083A2; EP0922084A2; EP0922085A2; EP0922085B1; EP0927238A2; EP0951274A1; EP0955994A1; EP0977549A1; US5919752; US6013618; US6077821; US6083892; US6087322; US6093691; US6100233; US6114302; US6126953; US6147037; US6150310; US6156710; WO1998 IBM Patent Data

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