1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide

Formula:C22H16N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide
MolecularFormula	C22H16N6O6
Smiles	[O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C22H16N6O6/c29-21(25-23-13-15-1-9-19(10-2-15)27(31)32)17-5-7-18(8-6-17)22(30)26-24-14-16-3-11-20(12-4-16)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIK	ATHUAVVWTCOFGY-UHFFFAOYSA-N
TotalMolweight	460.405
Molweight	460.405
MonoisotopicMass	460.113134
CLogP	2.9004
CLogS	-6.746
H Acceptors	12
H Donors	2
TotalSurfaceArea	348.06
Relative PSA	0.38172
PolarSurfaceArea	174.56
Druglikeness	-0.75305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	20
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide | 2 - 1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide

Request More Details | 1-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments