UCSF

ZINC11628740

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 14 Yes

Popular Name: 3-(4-ethylphenyl)butanoic acid 3-(4-ethylphenyl)butanoic acid

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CAS Number: 53086-49-0

Other Names:

MFCD08282288

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) 1.55 7.52 -45.85 0 2 -1 40 191.25 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 65 - 67 Enamine Building Blocks
MP 65...67 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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