UCSF

ZINC00153565

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 10 No

Popular Name: 5-ethylcyclohexane-1,3-dione 5-ethylcyclohexane-1,3-dione

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CAS Number: 57641-76-6

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) 1.50 4.12 -41.55 0 2 -1 40 139.174 1 ↓
Ref Reference (pH 7) 1.50 4.12 -41.56 0 2 -1 40 139.174 1 ↓
Mid Mid (pH 6-8) 0.76 3.2 -9.92 0 2 0 34 140.182 1 ↓
Mid Mid (pH 6-8) 1.50 2.4 -8.71 1 2 0 37 140.182 1 ↓
Mid Mid (pH 6-8) 1.50 2.4 -8.7 1 2 0 37 140.182 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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