UCSF

ZINC03223892

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 12 Yes

Popular Name: 3-(2-methylphenoxy)propanenitrile 3-(2-methylphenoxy)propanenitrile

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CAS Number: 25268-05-7

Other Names:

MFCD03150781

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) 1.85 6.01 -6.96 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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