2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole

Formula:C18H12NO2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole is not a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole
MolecularFormula	C18H12NO2ClS
Smiles	Clc(cc1)ccc1-c1csc(/C=C/c(cc2)cc3c2OCO3)n1
InChI	InChI=1S/C18H12ClNO2S/c19-14-5-3-13(4-6-14)15-10-23-18(20-15)8-2-12-1-7-16-17(9-12)22-11-21-16/h1-10H,11H2
InChIK	NVVBWVCVYCHFJP-UHFFFAOYSA-N
TotalMolweight	341.817
Molweight	341.817
MonoisotopicMass	341.027726
CLogP	5.1643
CLogS	-6.007
H Acceptors	3
TotalSurfaceArea	249.66
Relative PSA	0.2056
PolarSurfaceArea	59.59
Druglikeness	2.368
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole

Request More Details | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments