Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »

MCULE-4554052265-1

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-675272181	Innovapharm	Virtual Building Blocks	95	As a main component	by synthesis
P-502584173	Innovapharm	Virtual Building Blocks	95	As a main component	by synthesis
P-675527770	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-675390708	Innovapharm	Screening Compounds	90	As a main component	in stock

Property	Value
Components	1
Mass	250.337
logP	0.317
H-bond acceptors	5
H-bond donors	2
Rotatable bonds	5
PSA	96.43
RO5 violations	0
RO3 violations	3
Refractivity	62.8652
Atoms	36
Rings	1
Heavy atoms	16
Hydrogen atoms	20
Heteroatoms	6
N/O atoms	5
Inorganic atoms	0
Halogen atoms	0
Chiral centers	2
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	2
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0