[4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

Formula:C26H20N3O3I Mutagenic:low Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C26H20N3O3I
Smiles	O=C(CNc1cc2ccccc2cc1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O
InChI	InChI=1S/C26H20IN3O3/c27-24-8-4-3-7-23(24)26(32)33-22-13-9-18(10-14-22)16-29-30-25(31)17-28-21-12-11-19-5-1-2-6-20(19)15-21/h1-16,28H,17H2,(H,30,31)
InChIK	OSDBJWPFUHJXIR-UHFFFAOYSA-N
TotalMolweight	549.363
Molweight	549.363
MonoisotopicMass	549.05494
CLogP	5.5555
CLogS	-7.635
H Acceptors	6
H Donors	2
TotalSurfaceArea	360.6
Relative PSA	0.19554
PolarSurfaceArea	79.79
Druglikeness	5.1017
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
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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