N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide

Formula:C20H13N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide is a drug-like molecule.

MolName	N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
MolecularFormula	C20H13N3O5Cl2
Smiles	[O-][N+](c1ccc(/C=C(\C(Nc2ccccc2)=O)/NC(c(ccc(Cl)c2)c2Cl)=O)o1)=O
InChI	InChI=1S/C20H13Cl2N3O5/c21-12-6-8-15(16(22)10-12)19(26)24-17(11-14-7-9-18(30-14)25(28)29)20(27)23-13-4-2-1-3-5-13/h1-11H,(H,23,27)(H,24,26)
InChIK	ZOHPESZPZYUPME-UHFFFAOYSA-N
TotalMolweight	446.245
Molweight	446.245
MonoisotopicMass	445.023226
CLogP	4.2543
CLogS	-7.012
H Acceptors	8
H Donors	2
TotalSurfaceArea	320.11
Relative PSA	0.29218
PolarSurfaceArea	117.16
Druglikeness	-0.235
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide | 2 - N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide

Request More Details | N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments