UCSF

ZINC02154763

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 Yes

Popular Name: (+/-)-MONO-2-OCTYL PHTHALATE (+/-)-MONO-2-OCTYL PHTHALATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21395-09-5 , 68296-97-9

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) 4.61 11.59 -61 0 4 -1 66 277.34 9 ↓

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