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

Formula:C16H11NO3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(4-bromophenyl)-2-(4-chloroanilino)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-(4-bromophenyl)-2-(4-chloroanilino)-4-oxobut-2-enoic acid
MolecularFormula	C16H11NO3BrCl
Smiles	OC(/C(/Nc(cc1)ccc1Cl)=C/C(c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H11BrClNO3/c17-11-3-1-10(2-4-11)15(20)9-14(16(21)22)19-13-7-5-12(18)6-8-13/h1-9,19H,(H,21,22)
InChIK	SCRMRZJVSCRXSX-UHFFFAOYSA-N
TotalMolweight	380.624
Molweight	380.624
MonoisotopicMass	378.961082
CLogP	3.738
CLogS	-5.087
H Acceptors	4
H Donors	2
TotalSurfaceArea	245.09
Relative PSA	0.20662
PolarSurfaceArea	66.4
Druglikeness	1.0841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
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	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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