UCSF

ZINC02564091

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: n-Propyl 2-ethylhexanoate n-Propyl 2-ethylhexanoate

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CAS Number: 172354-89-1

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) 4.25 3.36 -3.83 0 2 0 26 186.295 8 ↓

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