COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000733
Chemical Name: (5- acetyl- 2- nitrothiophen- 3- yl)acetonitrile
Smiles: N#CCc1cc(sc1[N+](=O)[O-])C(=O)C

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Molecular Weight: 210.21
Empirical Formula: C8H6N2O3S

Physical State: Dry powder
Available Amount: 18464 mg

Lipinsky:
logP: 0.329
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 114
Number of rings: 1

     

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