[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-bromo-4-chlorophenoxy)acetate

Formula:C20H16N2O3BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-bromo-4-chlorophenoxy)acetate is not a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-bromo-4-chlorophenoxy)acetate
MolecularFormula	C20H16N2O3BrCl
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(COc(ccc(Cl)c1)c1Br)=O
InChI	InChI=1S/C20H16BrClN2O3/c21-17-11-15(22)8-9-18(17)26-12-20(25)27-24-19(23)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H2,23,24)
InChIK	NBSQEBITHSEFTO-UHFFFAOYSA-N
TotalMolweight	447.715
Molweight	447.715
MonoisotopicMass	446.003281
CLogP	5.1707
CLogS	-6.457
H Acceptors	5
H Donors	1
TotalSurfaceArea	298.43
Relative PSA	0.20045
PolarSurfaceArea	73.91
Druglikeness	-4.3818
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
StereoCon

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