UCSF

ZINC02576148

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Substance Information

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

Popular Name: 2-TERT-BUTOXY-BENZONITRILE 2-TERT-BUTOXY-BENZONITRILE

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CAS Numbers: 218797-78-5 , N/A

Other Names:

MFCD03425272

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) 2.89 6.05 -8.27 0 2 0 33 175.231 2 ↓

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