3-(3-chlorophenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C17H10N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3-chlorophenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(3-chlorophenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H10N5O2ClS
Smiles	[O-][N+](c1ccc(/C=C/c(s2)nn3c2nnc3-c2cccc(Cl)c2)cc1)=O
InChI	InChI=1S/C17H10ClN5O2S/c18-13-3-1-2-12(10-13)16-19-20-17-22(16)21-15(26-17)9-6-11-4-7-14(8-5-11)23(24)25/h1-10H
InChIK	SXKNBDFMRFVKAP-UHFFFAOYSA-N
TotalMolweight	383.818
Molweight	383.818
MonoisotopicMass	383.024372
CLogP	2.8837
CLogS	-4.445
H Acceptors	7
TotalSurfaceArea	275.84
Relative PSA	0.33222
PolarSurfaceArea	117.14
Druglikeness	-1.7115
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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