COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062089
Chemical Name: (2E)-3-(4-chlorophenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide
Smiles: O=C(NC(=S)Nc1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)Cl

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Molecular Weight: 361.81
Empirical Formula: C16H12ClN3O3S

Physical State: Dry powder
Available Amount: 463 mg

Lipinsky:
logP: 4.707
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 2

     

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