[4-bromo-2-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate

Formula:C26H19N2O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C26H19N2O3Br
Smiles	O=C(Cc1cccc2ccccc12)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChI	InChI=1S/C26H19BrN2O3/c27-22-13-14-24(32-26(31)19-8-2-1-3-9-19)21(15-22)17-28-29-25(30)16-20-11-6-10-18-7-4-5-12-23(18)20/h1-15,17H,16H2,(H,29,30)
InChIK	NHNZTFHBVKJBMB-UHFFFAOYSA-N
TotalMolweight	487.352
Molweight	487.352
MonoisotopicMass	486.057904
CLogP	6.5498
CLogS	-7.596
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.49
Relative PSA	0.17292
PolarSurfaceArea	67.76
Druglikeness	2.239
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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