(E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C22H12N2OClFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H12N2OClFS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c1ccc(-c(cccc2)c2Cl)o1
InChI	InChI=1S/C22H12ClFN2OS/c23-19-4-2-1-3-18(19)21-10-9-17(27-21)11-15(12-25)22-26-20(13-28-22)14-5-7-16(24)8-6-14/h1-11,13H
InChIK	XPVVOJFFUZBKQN-UHFFFAOYSA-N
TotalMolweight	406.867
Molweight	406.867
MonoisotopicMass	406.034288
CLogP	5.5586
CLogS	-6.947
H Acceptors	3
TotalSurfaceArea	305.12
Relative PSA	0.19337
PolarSurfaceArea	78.06
Druglikeness	-1.9976
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Request More Details | (E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments