N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H15N5O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C21H15N5O7
Smiles	[O-][N+](c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/c2cccc([N+]([O-])=O)c2)=O)o1)=O
InChI	InChI=1S/C21H15N5O7/c27-20(15-6-2-1-3-7-15)23-18(12-14-5-4-8-16(11-14)25(29)30)21(28)24-22-13-17-9-10-19(33-17)26(31)32/h1-13H,(H,23,27)(H,24,28)
InChIK	CVXNEZQPVVUKPS-UHFFFAOYSA-N
TotalMolweight	449.378
Molweight	449.378
MonoisotopicMass	449.09715
CLogP	2.5152
CLogS	-6.593
H Acceptors	12
H Donors	2
TotalSurfaceArea	337.7
Relative PSA	0.40113
PolarSurfaceArea	175.34
Druglikeness	4.5295
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments