2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C17H12NO5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C17H12NO5Br
Smiles	O=C(/C=C/c(o1)ccc1Br)OCCN(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C17H12BrNO5/c18-14-7-5-11(24-14)6-8-15(20)23-10-9-19-16(21)12-3-1-2-4-13(12)17(19)22/h1-8H,9-10H2
InChIK	OGRUPQSYJLMHMR-UHFFFAOYSA-N
TotalMolweight	390.188
Molweight	390.188
MonoisotopicMass	388.989885
CLogP	2.7421
CLogS	-3.647
H Acceptors	6
TotalSurfaceArea	255.41
Relative PSA	0.26146
PolarSurfaceArea	76.82
Druglikeness	-0.64903
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	5
Amides	1
StereoCon

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