(E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C22H13N2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N2ClS
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C22H13ClN2S/c23-18-10-8-15(9-11-18)12-17(13-24)22-25-21(14-26-22)20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H
InChIK	RBMYGYLBFPFLCL-UHFFFAOYSA-N
TotalMolweight	372.878
Molweight	372.878
MonoisotopicMass	372.048795
CLogP	5.7133
CLogS	-6.779
H Acceptors	2
TotalSurfaceArea	283.92
Relative PSA	0.15811
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Request More Details | (E)-3-(4-chlorophenyl)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments