(Z)-4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoic acid

Formula:C16H12NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C16H12NO4Br
Smiles	OC(/C=C\C(Nc(cc1)ccc1Oc(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H12BrNO4/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-10H,(H,18,19)(H,20,21)
InChIK	GUJFBGZQHDRTQI-UHFFFAOYSA-N
TotalMolweight	362.178
Molweight	362.178
MonoisotopicMass	360.99497
CLogP	2.8644
CLogS	-4.876
H Acceptors	5
H Donors	2
TotalSurfaceArea	241.46
Relative PSA	0.25114
PolarSurfaceArea	75.63
Druglikeness	-0.66912
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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