COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051100
Chemical Name: N-(2-chloro-4-nitrophenyl)-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
Smiles: Clc1cc(ccc1NCCCCCCNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 505.84
Empirical Formula: C19H19ClF3N5O6

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 7.924
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 2

     

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