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

Formula:C15H13N7O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-nitro-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	2-nitro-N-[(Z)-[2-(3-nitro-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]benzamide
MolecularFormula	C15H13N7O7
Smiles	[O-][N+](c1nn(C(C/C2=N/NC(c(cccc3)c3[N+]([O-])=O)=O)C3OC2OC3)cn1)=O
InChI	InChI=1S/C15H13N7O7/c23-13(8-3-1-2-4-10(8)21(24)25)18-17-9-5-11(12-6-28-14(9)29-12)20-7-16-15(19-20)22(26)27/h1-4,7,11-12,14H,5-6H2,(H,18,23)
InChIK	HGSMKWQRSIYGGO-UHFFFAOYSA-N
TotalMolweight	403.31
Molweight	403.31
MonoisotopicMass	403.087648
CLogP	-0.6016
CLogS	-3.477
H Acceptors	14
H Donors	1
TotalSurfaceArea	277.28
Relative PSA	0.52532
PolarSurfaceArea	182.27
Druglikeness	0.11699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	3
Rotatable Bond	5
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon	unknown chirality

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments