[4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate

Formula:C20H12O4BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H12O4BrCl
Smiles	O=C(/C=C/c(cccc1)c1Cl)c(cc(cc1)Br)c1OC(c1ccco1)=O
InChI	InChI=1S/C20H12BrClO4/c21-14-8-10-18(26-20(24)19-6-3-11-25-19)15(12-14)17(23)9-7-13-4-1-2-5-16(13)22/h1-12H
InChIK	YRDUOAPDUSVMOY-UHFFFAOYSA-N
TotalMolweight	431.668
Molweight	431.668
MonoisotopicMass	429.960748
CLogP	5.2542
CLogS	-6.562
H Acceptors	4
TotalSurfaceArea	288.52
Relative PSA	0.17396
PolarSurfaceArea	56.51
Druglikeness	-1.115
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
StereoCon

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