UCSF

ZINC13546082

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 12 No

Popular Name: 1-(4-Nitrophenyl)ethanol 1-(4-Nitrophenyl)ethanol

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CAS Numbers: , 100-27-6 , 58287-18-6 , 6531-13-1 , 96156-72-8

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) 1.46 3.43 -7.75 1 4 0 66 167.164 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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