UCSF

ZINC04829124

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 17 Yes

Popular Name: 4-[(2-methylphenyl)methoxy]benzonitrile 4-[(2-methylphenyl)methoxy]benzo…

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CAS Number: 172167-22-5

Other Names:

MFCD06627356

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) 3.74 3.14 -6.78 0 2 0 33 223.275 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 79 - 81 KeyOrganics

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