3-hydroxy-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide

Formula:C15H14N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-hydroxy-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide is not a drug-like molecule.

MolName	3-hydroxy-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide
MolecularFormula	C15H14N6O6
Smiles	[O-][N+](c1nn(C(C/C2=N/NC(c3cc(O)ccc3)=O)C3OC2OC3)cn1)=O
InChI	InChI=1S/C15H14N6O6/c22-9-3-1-2-8(4-9)13(23)18-17-10-5-11(12-6-26-14(10)27-12)20-7-16-15(19-20)21(24)25/h1-4,7,11-12,14,22H,5-6H2,(H,18,23)/b17-10-
InChIK	IHRGXZISWMUBIT-YVLHZVERSA-N
TotalMolweight	374.312
Molweight	374.312
MonoisotopicMass	374.097484
CLogP	-0.0257
CLogS	-2.721
H Acceptors	12
H Donors	2
TotalSurfaceArea	259.96
Relative PSA	0.49369
PolarSurfaceArea	156.68
Druglikeness	0.14054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	3
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-hydroxy-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide | 2 - 3-hydroxy-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide

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