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

Formula:C16H15N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-hydroxy-N-[(Z)-[2-(4-nitropyrazol-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-(4-nitropyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide
MolecularFormula	C16H15N5O6
Smiles	[O-][N+](c1cn(C(C/C2=N/NC(c3cc(O)ccc3)=O)C3OC2OC3)nc1)=O
InChI	InChI=1S/C16H15N5O6/c22-11-3-1-2-9(4-11)15(23)19-18-12-5-13(14-8-26-16(12)27-14)20-7-10(6-17-20)21(24)25/h1-4,6-7,13-14,16,22H,5,8H2,(H,19,23)/b18-12-
InChIK	ZXNAYLOXIQSTLE-PDGQHHTCSA-N
TotalMolweight	373.324
Molweight	373.324
MonoisotopicMass	373.102235
CLogP	-0.2715
CLogS	-2.073
H Acceptors	11
H Donors	2
TotalSurfaceArea	261.2
Relative PSA	0.44935
PolarSurfaceArea	143.79
Druglikeness	0.64692
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	11
Electronegative Atoms	11
StereoCenters	3
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon	unknown chirality

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

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