[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C15H11NO4BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H11NO4BrF
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc(ccc(Br)c1)c1F
InChI	InChI=1S/C15H11BrFNO4/c16-10-3-5-13(12(17)8-10)18-14(19)9-22-15(20)6-4-11-2-1-7-21-11/h1-8H,9H2,(H,18,19)
InChIK	TXPCUQGCIFRHTG-UHFFFAOYSA-N
TotalMolweight	368.157
Molweight	368.157
MonoisotopicMass	366.985548
CLogP	2.7089
CLogS	-4.231
H Acceptors	5
H Donors	1
TotalSurfaceArea	244.91
Relative PSA	0.25173
PolarSurfaceArea	68.54
Druglikeness	-2.9543
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

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