(NE)-N-[2-(1,3-benzothiazol-3-ium-3-yl)-1-phenylethylidene]hydroxylamine

Formula:C15H13N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (NE)-N-[2-(1,3-benzothiazol-3-ium-3-yl)-1-phenylethylidene]hydroxylamine is a drug-like molecule.

MolName	(NE)-N-[2-(1,3-benzothiazol-3-ium-3-yl)-1-phenylethylidene]hydroxylamine
MolecularFormula	C15H13N2OS
Smiles	O/N=C(/C[n+]1csc2c1cccc2)\c1ccccc1
InChI	InChI=1S/C15H12N2OS/c18-16-13(12-6-2-1-3-7-12)10-17-11-19-15-9-5-4-8-14(15)17/h1-9,11H,10H2/p+1
InChIK	DMLCEPIVJGIKCI-UHFFFAOYSA-O
TotalMolweight	269.347
Molweight	269.347
MonoisotopicMass	269.074858
CLogP	-0.8786
CLogS	-3.202
H Acceptors	3
H Donors	1
TotalSurfaceArea	203.94
Relative PSA	0.23404
PolarSurfaceArea	64.71
Druglikeness	-1.1279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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