N-[(E)-1-(4-chlorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H14N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-chlorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(4-chlorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H14N3O5Cl
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C20H14ClN3O5/c21-14-5-3-13(4-6-14)12-17(23-20(26)18-2-1-11-29-18)19(25)22-15-7-9-16(10-8-15)24(27)28/h1-12H,(H,22,25)(H,23,26)
InChIK	ITZLVROARIAEJX-UHFFFAOYSA-N
TotalMolweight	411.8
Molweight	411.8
MonoisotopicMass	411.062199
CLogP	3.2969
CLogS	-5.751
H Acceptors	8
H Donors	2
TotalSurfaceArea	304.69
Relative PSA	0.30697
PolarSurfaceArea	117.16
Druglikeness	-2.1108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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