(E)-3-(2-chloroquinolin-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C21H12N3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroquinolin-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-chloroquinolin-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C21H12N3ClS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C21H12ClN3S/c22-20-16(10-15-8-4-5-9-18(15)24-20)11-17(12-23)21-25-19(13-26-21)14-6-2-1-3-7-14/h1-11,13H
InChIK	KLUMXMRGYDFTAX-UHFFFAOYSA-N
TotalMolweight	373.866
Molweight	373.866
MonoisotopicMass	373.044044
CLogP	4.9323
CLogS	-5.642
H Acceptors	3
TotalSurfaceArea	282.68
Relative PSA	0.19761
PolarSurfaceArea	77.81
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-(2-chloroquinolin-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-(2-chloroquinolin-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments