UCSF

ZINC05167659

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 6 No

Popular Name: 2-Nitropropane 2-Nitropropane

Find On: PubMed — Wikipedia — Google

CAS Number: 79-46-9

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) 0.77 3.28 -4.98 0 3 0 46 89.094 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 120 TCI
UniProt Database Links 2NPD_CYBMR; 2NPD_NEUCR; NAO_FUSOX ChEBI
Patent Database Links WO2005010028 ChEBI

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