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

MCULE-9905878838

Compound Show structure

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-892939268	A2B Chem	Predominantly Building Block on demand	N/A	As is	by synthesis
P-489159033	Amadis Chemical Company Limited	Amadis Chemical General Catalog	97	As is	in stock
P-892943193	A2B Chem	Predominantly Building Block on demand	N/A	Main component	by synthesis
P-892939260	A2B Chem	Predominantly Building Block on demand	N/A	Main component as a main component	by synthesis
P-489146050	Amadis Chemical Company Limited	Amadis Chemical General Catalog	97	Main component as a main component	in stock

Property	Value
Components	2
Mass	450.619
logP	5.9187
H-bond acceptors	6
H-bond donors	1
Rotatable bonds	6
PSA	111.6
RO5 violations	1
RO3 violations	5
Refractivity	128.8978
Atoms	60
Rings	3
Heavy atoms	30
Hydrogen atoms	30
Heteroatoms	8
N/O atoms	6
Inorganic atoms	0
Halogen atoms	0
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