2-[(E)-2-naphthalen-1-ylethenyl]-1,3-benzothiazole

Formula:C19H13NS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(E)-2-naphthalen-1-ylethenyl]-1,3-benzothiazole is not a drug-like molecule.

MolName	2-[(E)-2-naphthalen-1-ylethenyl]-1,3-benzothiazole
MolecularFormula	C19H13NS
Smiles	C(c1nc(cccc2)c2s1)=C/c1cccc2ccccc12
InChI	InChI=1S/C19H13NS/c1-2-9-16-14(6-1)7-5-8-15(16)12-13-19-20-17-10-3-4-11-18(17)21-19/h1-13H
InChIK	GHHRACMERDGPLU-UHFFFAOYSA-N
TotalMolweight	287.385
Molweight	287.385
MonoisotopicMass	287.076869
CLogP	5.0682
CLogS	-5.622
H Acceptors	1
TotalSurfaceArea	223.42
Relative PSA	0.14023
PolarSurfaceArea	41.13
Druglikeness	0.85518
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	1
StereoCon

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