COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529937
Chemical Name: 4,6,8-trimethyl-2',4',6'-trinitro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,1'-cyclohexa[2,5]diene]
Smiles: CC1=CC(=C2C(C(=C1)C)OC1(O2)C(=CC(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

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Molecular Weight: 377.31
Empirical Formula: C16H15N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.498
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 155
Number of rings: 3

     

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