(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Formula:C20H11N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C20H11N4O6Cl
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Cl)=O)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1
InChI	InChI=1S/C20H11ClN4O6/c21-17-10-15(25(29)30)5-7-18(17)23-20(26)13(11-22)9-16-6-8-19(31-16)12-1-3-14(4-2-12)24(27)28/h1-10H,(H,23,26)
InChIK	IEDJXBCWXXHFFU-UHFFFAOYSA-N
TotalMolweight	438.782
Molweight	438.782
MonoisotopicMass	438.036713
CLogP	2.69
CLogS	-6.886
H Acceptors	10
H Donors	1
TotalSurfaceArea	320.86
Relative PSA	0.35221
PolarSurfaceArea	157.67
Druglikeness	-5.7378
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
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 - (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Request More Details | (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments