UCSF

ZINC01597265

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 3-Phenylpropyl Acetate 3-Phenylpropyl Acetate

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CAS Number: 122-72-5

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) 2.71 2.59 -6.16 0 2 0 26 178.231 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.011 Bitter DB
BP 245 TCI
Boiling_Point 252? Alfa-Aesar
Boiling_Point 252° Alfa-Aesar

Activity (Go SEA)

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