UCSF

ZINC01686926

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 2-Nitrophenetole 2-Nitrophenetole

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CAS Numbers: 610-67-3 , [610-67-3]

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) 2.28 2.22 -10.87 0 4 0 55 167.164 3 ↓
Hi High (pH 8-9.5) 1.37 3.24 -95.33 7 10 2 148 462.558 7 ↓

Vendor Notes

Note Type Comments Provided By
BP 275 TCI

Activity (Go SEA)

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