(Z)-2-(4-nitroanilino)-4-oxo-4-phenylbut-2-enoic acid

Formula:C16H12N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(4-nitroanilino)-4-oxo-4-phenylbut-2-enoic acid is a drug-like molecule.

MolName	(Z)-2-(4-nitroanilino)-4-oxo-4-phenylbut-2-enoic acid
MolecularFormula	C16H12N2O5
Smiles	[O-][N+](c(cc1)ccc1N/C(/C(O)=O)=C\C(c1ccccc1)=O)=O
InChI	InChI=1S/C16H12N2O5/c19-15(11-4-2-1-3-5-11)10-14(16(20)21)17-12-6-8-13(9-7-12)18(22)23/h1-10,17H,(H,20,21)
InChIK	SIUJGWJCPDBKIC-UHFFFAOYSA-N
TotalMolweight	312.28
Molweight	312.28
MonoisotopicMass	312.074623
CLogP	1.4852
CLogS	-3.977
H Acceptors	7
H Donors	2
TotalSurfaceArea	234.71
Relative PSA	0.34536
PolarSurfaceArea	112.22
Druglikeness	-2.2445
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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