2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole

Formula:C21H12NOCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high 2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole is not a drug-like molecule.

MolName	2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole
MolecularFormula	C21H12NOCl3S
Smiles	Clc1ccc(/C=C(/c2nc(cccc3)c3s2)\Oc(ccc(Cl)c2)c2Cl)cc1
InChI	InChI=1S/C21H12Cl3NOS/c22-14-7-5-13(6-8-14)11-19(26-18-10-9-15(23)12-16(18)24)21-25-17-3-1-2-4-20(17)27-21/h1-12H
InChIK	CCWVBZRGSRTTHU-UHFFFAOYSA-N
TotalMolweight	432.757
Molweight	432.757
MonoisotopicMass	430.970515
CLogP	6.9321
CLogS	-7.214
H Acceptors	2
TotalSurfaceArea	303.05
Relative PSA	0.13638
PolarSurfaceArea	50.36
Druglikeness	1.1541
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole | 2 - 2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole

Request More Details | 2-[(Z)-2-(4-chlorophenyl)-1-(2,4-dichlorophenoxy)ethenyl]-1,3-benzothiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments