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

Formula:C26H20N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C26H20N3O3Br
Smiles	O=C(CNc1cccc2ccccc12)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChI	InChI=1S/C26H20BrN3O3/c27-21-13-14-24(33-26(32)19-8-2-1-3-9-19)20(15-21)16-29-30-25(31)17-28-23-12-6-10-18-7-4-5-11-22(18)23/h1-16,28H,17H2,(H,30,31)
InChIK	STSPHZWUJBYCHQ-UHFFFAOYSA-N
TotalMolweight	502.367
Molweight	502.367
MonoisotopicMass	501.068803
CLogP	5.8436
CLogS	-7.453
H Acceptors	6
H Donors	2
TotalSurfaceArea	352.95
Relative PSA	0.19977
PolarSurfaceArea	79.79
Druglikeness	2.8805
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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