(5Z)-5-(naphthalen-1-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C21H13N3OS Mutagenic:none Tumorigenic:high Reproductive Effective:low (5Z)-5-(naphthalen-1-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-(naphthalen-1-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C21H13N3OS
Smiles	O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1cccc2ccccc12
InChI	InChI=1S/C21H13N3OS/c25-20-18(13-16-11-6-10-14-7-4-5-12-17(14)16)26-21-22-19(23-24(20)21)15-8-2-1-3-9-15/h1-13H
InChIK	QRZGFWBRCMZGFU-UHFFFAOYSA-N
TotalMolweight	355.42
Molweight	355.42
MonoisotopicMass	355.077932
CLogP	4.5498
CLogS	-7.156
H Acceptors	4
TotalSurfaceArea	260.55
Relative PSA	0.22775
PolarSurfaceArea	73.08
Druglikeness	4.4159
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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