[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate

Formula:C16H14N3O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
MolecularFormula	C16H14N3O5Br
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(COc(cc1)ccc1Br)=O
InChI	InChI=1S/C16H14BrN3O5/c17-12-3-7-14(8-4-12)24-10-16(21)25-19-15(18)9-11-1-5-13(6-2-11)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIK	BHAJFLVPSLUZDQ-UHFFFAOYSA-N
TotalMolweight	408.207
Molweight	408.207
MonoisotopicMass	407.011683
CLogP	2.4487
CLogS	-4.575
H Acceptors	8
H Donors	1
TotalSurfaceArea	272.08
Relative PSA	0.33167
PolarSurfaceArea	119.73
Druglikeness	-9.4766
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate

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