COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728504
Chemical Name: dimethyl[1-(4-hydroxy-3-methoxyphenyl)-2-nitroethyl]propanedioate
Smiles: COC(=O)C(C(c1ccc(c(c1)OC)O)C[N+](=O)[O-])C(=O)OC

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Molecular Weight: 327.29
Empirical Formula: C14H17NO8

Physical State: Dry powder
Available Amount: 212 mg

Lipinsky:
logP: 1.333
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 127
Number of rings: 1

     

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