UCSF

ZINC00378386

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: N-(5-chloro-2-methylphenyl)-2-cyanoacetamide N-(5-chloro-2-methylphenyl)-2-cy…

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CAS Numbers: 63034-97-9 , [63034-97-9]

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) 1.63 5.24 -19.02 1 3 0 53 208.648 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 190 - 192 Enamine Building Blocks
MP 190...192 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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