Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »

MCULE-8161439486-1

Structure Show compound

In order to add this molecule to a collection you have to create an account. Sign up for free

1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
Property calculator Create a physicochemical property profile for the compound in a second.
Similarity search Find analogs by similarity search.
Substructure search Find analogs by substructure search.

mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-504021548	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-504021975	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-504022373	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis

Property	Value
Components	1
Mass	190.000
logP	1.3569
H-bond acceptors	2
H-bond donors	0
Rotatable bonds	1
PSA	40.13
RO5 violations	0
RO3 violations	0
Refractivity	41.479
Atoms	14
Rings	1
Heavy atoms	11
Hydrogen atoms	3
Heteroatoms	4
N/O atoms	2
Inorganic atoms	0
Halogen atoms	2
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0