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

Formula:C16H11N8O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)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-chlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C16H11N8O2ClS
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2Cl)=O)c1-c1cccs1
InChI	InChI=1S/C16H11ClN8O2S/c17-10-5-2-1-4-9(10)8-19-21-16(26)12-13(11-6-3-7-28-11)25(24-20-12)15-14(18)22-27-23-15/h1-8H,(H2,18,22)(H,21,26)
InChIK	AXIOEEWWRMPOKS-UHFFFAOYSA-N
TotalMolweight	414.836
Molweight	414.836
MonoisotopicMass	414.041419
CLogP	4.0751
CLogS	-3.863
H Acceptors	10
H Donors	2
TotalSurfaceArea	300.32
Relative PSA	0.45452
PolarSurfaceArea	165.35
Druglikeness	3.5364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
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-chlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

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