(Z)-2-anilino-4-(4-bromophenyl)-4-oxobut-2-enoic acid

Formula:C16H12NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-anilino-4-(4-bromophenyl)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-2-anilino-4-(4-bromophenyl)-4-oxobut-2-enoic acid
MolecularFormula	C16H12NO3Br
Smiles	OC(/C(/Nc1ccccc1)=C/C(c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H12BrNO3/c17-12-8-6-11(7-9-12)15(19)10-14(16(20)21)18-13-4-2-1-3-5-13/h1-10,18H,(H,20,21)
InChIK	ZBYPYVNUNAVQBT-UHFFFAOYSA-N
TotalMolweight	346.179
Molweight	346.179
MonoisotopicMass	345.000055
CLogP	3.132
CLogS	-4.351
H Acceptors	4
H Donors	2
TotalSurfaceArea	229.67
Relative PSA	0.22049
PolarSurfaceArea	66.4
Druglikeness	1.0223
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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