2-[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C18H13N8O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetate is not a drug-like molecule.

MolName	2-[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C18H13N8O5S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2OCC([O-])=O)=O)c1-c1cccs1
InChI	InChI=1S/C18H14N8O5S/c19-16-17(24-31-23-16)26-15(12-6-3-7-32-12)14(21-25-26)18(29)22-20-8-10-4-1-2-5-11(10)30-9-13(27)28/h1-8H,9H2,(H2,19,23)(H,22,29)(H,27,28)/p-1
InChIK	BHWIEWGUMFWOIT-UHFFFAOYSA-M
TotalMolweight	453.418
Molweight	453.418
MonoisotopicMass	453.072962
CLogP	0.4531
CLogS	-2.92
H Acceptors	13
H Donors	2
TotalSurfaceArea	333.94
Relative PSA	0.52051
PolarSurfaceArea	214.71
Druglikeness	3.5178
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	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetate

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