UCSF

ZINC01041687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 Yes

Popular Name: 1-ACENAPHTHENOL 1-ACENAPHTHENOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121961-98-6 , 6306-07-6 , [6306-07-6]

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) 2.28 -1.69 -6.83 1 1 0 20 170.211 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 144-145° Matrix Scientific
MP 146 TCI
BP 183-193°/0.5 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )