COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672686
Chemical Name: N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitroaniline
Smiles: [O-][N+](=O)c1cc(cc(c1NCCc1c[nH]c2c1cccc2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 371.31
Empirical Formula: C16H13N5O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.042
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 165
Number of rings: 3

     

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