[2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Formula:C18H13N2O6BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
MolecularFormula	C18H13N2O6BrF2
Smiles	[O-][N+](c(cc1)cc(Br)c1NC(COC(/C=C/c(cc1)ccc1OC(F)F)=O)=O)=O
InChI	InChI=1S/C18H13BrF2N2O6/c19-14-9-12(23(26)27)4-7-15(14)22-16(24)10-28-17(25)8-3-11-1-5-13(6-2-11)29-18(20)21/h1-9,18H,10H2,(H,22,24)
InChIK	MAJFPQILBXNJOC-UHFFFAOYSA-N
TotalMolweight	471.209
Molweight	471.209
MonoisotopicMass	469.992505
CLogP	2.6672
CLogS	-5.317
H Acceptors	8
H Donors	1
TotalSurfaceArea	307.74
Relative PSA	0.28583
PolarSurfaceArea	110.45
Druglikeness	-9.4581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate | 2 - [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Request More Details | [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments