UCSF

ZINC01587641

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 4-Ethylnitrobenzene 4-Ethylnitrobenzene

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CAS Numbers: 100-12-9 , [100-12-9]

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) 2.81 2.2 -6.18 0 3 0 46 151.165 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 242 TCI

Activity (Go SEA)

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