4-[[2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid

Formula:C23H19N2O5Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[[2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C23H19N2O5Br
Smiles	OC(c1ccc(COc2c(/C=N\NC(COc(cc3)ccc3Br)=O)cccc2)cc1)=O
InChI	InChI=1S/C23H19BrN2O5/c24-19-9-11-20(12-10-19)30-15-22(27)26-25-13-18-3-1-2-4-21(18)31-14-16-5-7-17(8-6-16)23(28)29/h1-13H,14-15H2,(H,26,27)(H,28,29)
InChIK	FVGIHDSNMOVGHA-UHFFFAOYSA-N
TotalMolweight	483.317
Molweight	483.317
MonoisotopicMass	482.047734
CLogP	4.3349
CLogS	-5.689
H Acceptors	7
H Donors	2
TotalSurfaceArea	337
Relative PSA	0.24377
PolarSurfaceArea	97.22
Druglikeness	2.2297
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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