UCSF

ZINC11947463

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 12 Yes

Popular Name: 3-propoxybenzonitrile 3-propoxybenzonitrile

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CAS Number: 467462-55-1

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) 2.60 2.69 -5.55 0 2 0 33 161.204 3 ↓

Vendor Notes

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

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