UCSF

ZINC34448616

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 Yes

Popular Name: 4-Propionylbenzonitrile 4-Propionylbenzonitrile

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CAS Number: 52129-98-3

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) 2.09 6.16 -8.86 0 2 0 41 159.188 2 ↓

Vendor Notes

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

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