2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide

Formula:C23H15N3O4BrF Mutagenic:none Tumorigenic:low Reproductive Effective:high 2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide
MolecularFormula	C23H15N3O4BrF
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c(cc1)cc(Br)c1OCC(Nc(cccc1)c1F)=O
InChI	InChI=1S/C23H15BrFN3O4/c24-19-12-15(11-17(13-26)16-6-8-18(9-7-16)28(30)31)5-10-22(19)32-14-23(29)27-21-4-2-1-3-20(21)25/h1-12H,14H2,(H,27,29)
InChIK	BNBWWORRPLEYBV-UHFFFAOYSA-N
TotalMolweight	496.291
Molweight	496.291
MonoisotopicMass	495.022996
CLogP	3.9594
CLogS	-6.529
H Acceptors	7
H Donors	1
TotalSurfaceArea	340.82
Relative PSA	0.23027
PolarSurfaceArea	107.94
Druglikeness	-11.145
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide | 2 - 2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide

Request More Details | 2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(2-fluorophenyl)acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments