[4-bromo-2-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C28H21N2O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C28H21N2O4Br
Smiles	O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChI	InChI=1S/C28H21BrN2O4/c29-24-13-16-26(35-28(33)22-9-5-2-6-10-22)23(17-24)18-30-31-27(32)19-34-25-14-11-21(12-15-25)20-7-3-1-4-8-20/h1-18H,19H2,(H,31,32)
InChIK	DNAQWJSCUNYRFN-UHFFFAOYSA-N
TotalMolweight	529.389
Molweight	529.389
MonoisotopicMass	528.068469
CLogP	6.5914
CLogS	-7.891
H Acceptors	6
H Donors	1
TotalSurfaceArea	376.65
Relative PSA	0.18333
PolarSurfaceArea	76.99
Druglikeness	2.1789
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	6
StereoCon

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