[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C26H18N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormula	C26H18N3O4Br
Smiles	O=C(C(N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O)=O)Nc1cccc2ccccc12
InChI	InChI=1S/C26H18BrN3O4/c27-20-12-10-19(11-13-20)26(33)34-21-14-8-17(9-15-21)16-28-30-25(32)24(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,(H,29,31)(H,30,32)
InChIK	DXYIOHUBNZKBEA-UHFFFAOYSA-N
TotalMolweight	516.35
Molweight	516.35
MonoisotopicMass	515.048068
CLogP	5.494
CLogS	-7.435
H Acceptors	7
H Donors	2
TotalSurfaceArea	356.94
Relative PSA	0.23407
PolarSurfaceArea	96.86
Druglikeness	1.585
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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