UCSF

ZINC01383248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 No

Popular Name: 3-(dimethylamino)-2-[4-(3,3-dimethyl-2-oxo-1-azetanyl)phenyl]acrylonitrile 3-(dimethylamino)-2-[4-(3,3-dime…

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CAS Number: 303985-91-3

Other Names:

MFCD00793385

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 2.49 -17.14 0 4 0 47 269.348 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 160 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.