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

Formula:C20H14N4O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(2-nitrophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2-nitrophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C20H14N4O6S
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cccc2)c2[N+]([O-])=O)=O)\C#N)o1)(=O)=O
InChI	InChI=1S/C20H14N4O6S/c21-12-14(20(25)23-17-3-1-2-4-18(17)24(26)27)11-15-7-10-19(30-15)13-5-8-16(9-6-13)31(22,28)29/h1-11H,(H,23,25)(H2,22,28,29)
InChIK	XWOBFUOZKBYZPX-UHFFFAOYSA-N
TotalMolweight	438.419
Molweight	438.419
MonoisotopicMass	438.063406
CLogP	1.7696
CLogS	-5.589
H Acceptors	10
H Donors	2
TotalSurfaceArea	318.87
Relative PSA	0.39653
PolarSurfaceArea	180.39
Druglikeness	-5.5995
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54839
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	3
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments