UCSF

ZINC02040426

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: Citronellic acid Citronellic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18951-85-4 , 2111-53-7 , 502-47-6 , 57030-77-0

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) 3.03 2.14 -45.29 0 2 -1 40 169.244 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 121-122?/1mm Alfa-Aesar
Boiling_Point 121-122°/1mm Alfa-Aesar

Activity (Go SEA)

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