(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C17H12N3OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C17H12N3OClS
Smiles	O=C1N2NC(c3ccccc3)=NC2S/C1=C\c(cccc1)c1Cl
InChI	InChI=1S/C17H12ClN3OS/c18-13-9-5-4-8-12(13)10-14-16(22)21-17(23-14)19-15(20-21)11-6-2-1-3-7-11/h1-10,17H,(H,19,20)/t17-/m0/s1
InChIK	RVKRRTMGFFFXMC-KRWDZBQOSA-N
TotalMolweight	341.821
Molweight	341.821
MonoisotopicMass	341.038959
CLogP	2.8493
CLogS	-4.795
H Acceptors	4
H Donors	1
TotalSurfaceArea	238.62
Relative PSA	0.23908
PolarSurfaceArea	70
Druglikeness	4.0498
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon	racemate

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1 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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