[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(1-bromonaphthalen-2-yl)oxyacetate

Formula:C18H14N3O3Br Mutagenic:high Tumorigenic:low Reproductive Effective:none [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(1-bromonaphthalen-2-yl)oxyacetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(1-bromonaphthalen-2-yl)oxyacetate
MolecularFormula	C18H14N3O3Br
Smiles	N/C(/c1ccncc1)=N/OC(COc(ccc1ccccc11)c1Br)=O
InChI	InChI=1S/C18H14BrN3O3/c19-17-14-4-2-1-3-12(14)5-6-15(17)24-11-16(23)25-22-18(20)13-7-9-21-10-8-13/h1-10H,11H2,(H2,20,22)
InChIK	ZTJBRHAJQYFTPE-UHFFFAOYSA-N
TotalMolweight	400.231
Molweight	400.231
MonoisotopicMass	399.021853
CLogP	3.5657
CLogS	-4.961
H Acceptors	6
H Donors	1
TotalSurfaceArea	268.01
Relative PSA	0.26413
PolarSurfaceArea	86.8
Druglikeness	-4.4348
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(1-bromonaphthalen-2-yl)oxyacetate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(1-bromonaphthalen-2-yl)oxyacetate

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