1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

Formula:C16H10N8O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C16H10N8O2ClFS
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(c(F)ccc2)c2Cl)=O)c1-c1cccs1
InChI	InChI=1S/C16H10ClFN8O2S/c17-9-3-1-4-10(18)8(9)7-20-22-16(27)12-13(11-5-2-6-29-11)26(25-21-12)15-14(19)23-28-24-15/h1-7H,(H2,19,23)(H,22,27)
InChIK	MFKMTWPVVNFGAW-UHFFFAOYSA-N
TotalMolweight	432.826
Molweight	432.826
MonoisotopicMass	432.031997
CLogP	4.1759
CLogS	-4.177
H Acceptors	10
H Donors	2
TotalSurfaceArea	306.67
Relative PSA	0.4451
PolarSurfaceArea	165.35
Druglikeness	2.1964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

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