[2-(4-bromoanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C15H11NO4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(4-bromoanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-bromoanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C15H11NO4Br2
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C15H11Br2NO4/c16-10-1-3-11(4-2-10)18-14(19)9-21-15(20)8-6-12-5-7-13(17)22-12/h1-8H,9H2,(H,18,19)
InChIK	RKYXSHYNLIZWGC-UHFFFAOYSA-N
TotalMolweight	429.063
Molweight	429.063
MonoisotopicMass	426.905481
CLogP	3.4307
CLogS	-4.514
H Acceptors	5
H Donors	1
TotalSurfaceArea	257.19
Relative PSA	0.23971
PolarSurfaceArea	68.54
Druglikeness	-2.015
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
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
Symmetricatoms	2
Amides	1
StereoCon

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