COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010000
Chemical Name: 3-isothiocyanatooctane
Smiles: CCCCCC(N=C=S)CC

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Molecular Weight: 171.31
Empirical Formula: C9H17NS

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 4.474
Rotatable bonds: 6
H-donors: 0
H-acceptors: 0
PSA: 44
Number of rings: 0

     

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