(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one

Formula:C21H13O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one is not a drug-like molecule.

MolName	(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one
MolecularFormula	C21H13O3Br
Smiles	O=C1OC(c2ccccc2)=C/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChI	InChI=1S/C21H13BrO3/c22-17-8-4-7-15(11-17)19-10-9-18(24-19)12-16-13-20(25-21(16)23)14-5-2-1-3-6-14/h1-13H
InChIK	UXJHMAMQICIARY-UHFFFAOYSA-N
TotalMolweight	393.235
Molweight	393.235
MonoisotopicMass	392.004806
CLogP	5.0873
CLogS	-5.971
H Acceptors	3
TotalSurfaceArea	264.77
Relative PSA	0.14031
PolarSurfaceArea	39.44
Druglikeness	-0.6695
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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