(E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate

Formula:C16H11N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate
MolecularFormula	C16H11N2O5
Smiles	[O-]C(/C=C/C(Nc(cc1)ccc1-c(cc1)ccc1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C16H12N2O5/c19-15(9-10-16(20)21)17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18(22)23/h1-10H,(H,17,19)(H,20,21)/p-1
InChIK	URZIPQUZRRJBQQ-UHFFFAOYSA-M
TotalMolweight	311.272
Molweight	311.272
MonoisotopicMass	311.066798
CLogP	-0.5948
CLogS	-4.291
H Acceptors	7
H Donors	1
TotalSurfaceArea	237.68
Relative PSA	0.34601
PolarSurfaceArea	115.05
Druglikeness	-5.1955
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate | 2 - (E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate

Request More Details | (E)-4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments