UCSF

ZINC12504736

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 17 No

Popular Name: (2E)-4-chloro-2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-oxobutanenitrile (2E)-4-chloro-2-(3-methyl-1,3-be…

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CAS Number: 746607-67-0

Other Names:

MFCD05273597

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) 2.22 7.65 -9.46 0 3 0 46 264.737 2 ↓

Vendor Notes

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

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