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

Formula:C15H10NO4Br2F Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C15H10NO4Br2F
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)Nc(ccc(Br)c1)c1F
InChI	InChI=1S/C15H10Br2FNO4/c16-9-1-4-12(11(18)7-9)19-14(20)8-22-15(21)6-3-10-2-5-13(17)23-10/h1-7H,8H2,(H,19,20)
InChIK	XMTCPGWTKDITNE-UHFFFAOYSA-N
TotalMolweight	447.053
Molweight	447.053
MonoisotopicMass	444.896059
CLogP	3.5315
CLogS	-4.828
H Acceptors	5
H Donors	1
TotalSurfaceArea	263.54
Relative PSA	0.23393
PolarSurfaceArea	68.54
Druglikeness	-3.355
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate | 2 - [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Request More Details | [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments