COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398096
Chemical Name: 2,4,6-trinitrophenol-2,3,3-trimethyl-3H-indol-5-amine(1:1)
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Nc1ccc2c(c1)C(C)(C)C(=N2)C

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Molecular Weight: 403.35
Empirical Formula: C17H17N5O7

Physical State: Dry powder
Available Amount: 1127 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 3
H-acceptors: 7
PSA: 196
Number of rings: 3

     

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