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

Formula:C15H10NO4BrClF Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C15H10NO4BrClF
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)Nc(cc1)cc(Cl)c1F
InChI	InChI=1S/C15H10BrClFNO4/c16-13-5-2-10(23-13)3-6-15(21)22-8-14(20)19-9-1-4-12(18)11(17)7-9/h1-7H,8H2,(H,19,20)
InChIK	NKXDDQOJDVENNV-UHFFFAOYSA-N
TotalMolweight	402.602
Molweight	402.602
MonoisotopicMass	400.946575
CLogP	3.4123
CLogS	-4.73
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.33
Relative PSA	0.23681
PolarSurfaceArea	68.54
Druglikeness	-3.2852
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-(3-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate | 2 - [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Request More Details | [2-(3-chloro-4-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