N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide

Formula:C17H12N6O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide is not a drug-like molecule.

MolName	N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide
MolecularFormula	C17H12N6O5
Smiles	[O-][N+](c1ccc(/C(/N=N/c(cc2)ccc2[N+]([O-])=O)=N/Nc2ccccc2)o1)=O
InChI	InChI=1S/C17H12N6O5/c24-22(25)14-8-6-13(7-9-14)19-21-17(15-10-11-16(28-15)23(26)27)20-18-12-4-2-1-3-5-12/h1-11,18H
InChIK	PCCBSFTWHBOKFM-UHFFFAOYSA-N
TotalMolweight	380.319
Molweight	380.319
MonoisotopicMass	380.086919
CLogP	4.252
CLogS	-6.085
H Acceptors	11
H Donors	1
TotalSurfaceArea	287.26
Relative PSA	0.42101
PolarSurfaceArea	153.89
Druglikeness	-6.0059
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; azo
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide | 2 - N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide

Request More Details | N'-anilino-5-nitro-N-(4-nitrophenyl)iminofuran-2-carboximidamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments