4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C16H12N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C16H12N2O4BrCl
Smiles	OC(c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1)=O
InChI	InChI=1S/C16H12BrClN2O4/c17-13-7-12(18)5-6-14(13)24-9-15(21)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIK	SYIFBHZJHBQOHS-UHFFFAOYSA-N
TotalMolweight	411.638
Molweight	411.638
MonoisotopicMass	409.966896
CLogP	3.5928
CLogS	-5.084
H Acceptors	6
H Donors	2
TotalSurfaceArea	268.9
Relative PSA	0.26832
PolarSurfaceArea	87.99
Druglikeness	2.2759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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