(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

Formula:C22H14N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
MolecularFormula	C22H14N3O4Br
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1Br)=O)=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C22H14BrN3O4/c23-20-13-17(26(28)29)9-10-21(20)25-22(27)16(14-24)11-15-5-4-8-19(12-15)30-18-6-2-1-3-7-18/h1-13H,(H,25,27)
InChIK	XKUCTKKFMUOSOS-UHFFFAOYSA-N
TotalMolweight	464.274
Molweight	464.274
MonoisotopicMass	463.016768
CLogP	4.1875
CLogS	-7.361
H Acceptors	7
H Donors	1
TotalSurfaceArea	320.71
Relative PSA	0.24471
PolarSurfaceArea	107.94
Druglikeness	-8.6503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide | 2 - (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

Request More Details | (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments