UCSF

ZINC01726706

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 19 No

Popular Name: 2-Phenylethyl 4-methylbenzenesulfonate 2-Phenylethyl 4-methylbenzenesul…

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CAS Numbers: 4455-09-8 , [4455-09-8]

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) 3.46 7.36 -9.26 0 3 0 43 276.357 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 38 TCI
MP 39-40° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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