COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326821
Chemical Name: (2E,4E)-4-benzylidene-3-methylpent-2-enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1ccccc1)/C(=O)[O-])\C

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Saltdata: 2Na+
Molecular Weight: 230.22
Empirical Formula: C13H10O4

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 2.501
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 80
Number of rings: 1

     

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