(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one

Formula:C20H10NO3BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
MolecularFormula	C20H10NO3BrCl2
Smiles	O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C/c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C20H10BrCl2NO3/c21-12-3-1-11(2-4-12)18-8-6-14(26-18)10-17-20(25)27-19(24-17)15-7-5-13(22)9-16(15)23/h1-10H
InChIK	RLPSIPPQGUAGIH-UHFFFAOYSA-N
TotalMolweight	463.113
Molweight	463.113
MonoisotopicMass	460.922109
CLogP	5.4679
CLogS	-7.685
H Acceptors	4
TotalSurfaceArea	293.87
Relative PSA	0.16558
PolarSurfaceArea	51.8
Druglikeness	0.17455
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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