5-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]thiophene-2-carboxylic acid

Formula:C17H12N8O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]thiophene-2-carboxylic acid is not a drug-like molecule.

MolName	5-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]thiophene-2-carboxylic acid
MolecularFormula	C17H12N8O4S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccc(C(O)=O)s2)=O)c1-c1ccccc1
InChI	InChI=1S/C17H12N8O4S/c18-14-15(23-29-22-14)25-13(9-4-2-1-3-5-9)12(20-24-25)16(26)21-19-8-10-6-7-11(30-10)17(27)28/h1-8H,(H2,18,22)(H,21,26)(H,27,28)
InChIK	ONXMDGKWELRPRG-UHFFFAOYSA-N
TotalMolweight	424.4
Molweight	424.4
MonoisotopicMass	424.070222
CLogP	2.8795
CLogS	-3.339
H Acceptors	12
H Donors	3
TotalSurfaceArea	309
Relative PSA	0.52634
PolarSurfaceArea	202.65
Druglikeness	3.214
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	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 5-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]thiophene-2-carboxylic acid | 2 - 5-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]thiophene-2-carboxylic acid

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