[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C15H10N2O6Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H10N2O6Br2
Smiles	[O-][N+](c(cc1Br)cc(Br)c1NC(COC(/C=C/c1ccco1)=O)=O)=O
InChI	InChI=1S/C15H10Br2N2O6/c16-11-6-9(19(22)23)7-12(17)15(11)18-13(20)8-25-14(21)4-3-10-2-1-5-24-10/h1-7H,8H2,(H,18,20)
InChIK	IXZDXVZVIAXMCR-UHFFFAOYSA-N
TotalMolweight	474.06
Molweight	474.06
MonoisotopicMass	471.89056
CLogP	2.4117
CLogS	-5.211
H Acceptors	8
H Donors	1
TotalSurfaceArea	280.86
Relative PSA	0.32781
PolarSurfaceArea	114.36
Druglikeness	-6.5679
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Request More Details | [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments