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

Formula:C15H10NClS Mutagenic:none Tumorigenic:low Reproductive Effective:none 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
MolecularFormula	C15H10NClS
Smiles	Clc1ccc(/C=C/c2nc(cccc3)c3s2)cc1
InChI	InChI=1S/C15H10ClNS/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H
InChIK	XDBQALBYXFUIRM-UHFFFAOYSA-N
TotalMolweight	271.77
Molweight	271.77
MonoisotopicMass	271.022246
CLogP	4.4798
CLogS	-4.752
H Acceptors	1
TotalSurfaceArea	204.24
Relative PSA	0.1534
PolarSurfaceArea	41.13
Druglikeness	0.91879
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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