(3Z)-1-benzyl-3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one

Formula:C28H19N2O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-1-benzyl-3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is not a drug-like molecule.

MolName	(3Z)-1-benzyl-3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
MolecularFormula	C28H19N2O4Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(/C=C(c2ccccc2)N2Cc3ccccc3)\C2=O)o1)=O
InChI	InChI=1S/C28H19BrN2O4/c29-25-17-22(31(33)34)11-13-24(25)27-14-12-23(35-27)15-21-16-26(20-9-5-2-6-10-20)30(28(21)32)18-19-7-3-1-4-8-19/h1-17H,18H2
InChIK	KLGCRSGNTVRCAX-UHFFFAOYSA-N
TotalMolweight	527.373
Molweight	527.373
MonoisotopicMass	526.052819
CLogP	5.6932
CLogS	-7.256
H Acceptors	6
TotalSurfaceArea	362.26
Relative PSA	0.16872
PolarSurfaceArea	79.27
Druglikeness	-1.7718
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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