UCSF

ZINC01504252

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 18 Yes

Popular Name: 4'-(TRANS-4-N-PROPYLCYCLOHEXYL)ACETOPHENONE 4'-(TRANS-4-N-PROPYLCYCLOHEXYL)A…

Find On: PubMed — Wikipedia — Google

CAS Number: 78531-61-0

Other Names:

MFCD06656039

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) 5.21 2.52 -5.98 0 1 0 17 244.378 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4400293 IBM Patent Data

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