COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526997
Chemical Name: (2Z,3E)-2-(1-hydroxyethylidene)-3-[(4-methylphenyl)imino]-7-nitro-2,3-dihydro-1H-inden-1-one
Smiles: Cc1ccc(cc1)/N=C\1/C(=C(/O)\C)/C(=O)c2c1cccc2[N+](=O)[O-]

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Molecular Weight: 322.32
Empirical Formula: C18H14N2O4

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 3.982
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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