UCSF

ZINC34303440

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 29 Yes

Popular Name: Trans,trans-4-pentylphenyl 4'-propylbicyclohexyl-4-carboxylate Trans,trans-4-pentylphenyl 4'-pr…

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CAS Number: 84078-44-4

Other Names:

MFCD12911568

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) 8.49 18.26 -5.77 0 2 0 26 398.631 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5288427 IBM Patent Data

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