COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL037675
Chemical Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene
Smiles: O=C=Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 221.567
Empirical Formula: C8H3ClF3NO

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 4.565
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 29
Number of rings: 1

     

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