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

Formula:C16H13N3O5BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate
MolecularFormula	C16H13N3O5BrCl
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(COc(ccc(Cl)c1)c1Br)=O
InChI	InChI=1S/C16H13BrClN3O5/c17-13-8-11(18)3-6-14(13)25-9-16(22)26-20-15(19)7-10-1-4-12(5-2-10)21(23)24/h1-6,8H,7,9H2,(H2,19,20)
InChIK	XCBMRCPATVKEPL-UHFFFAOYSA-N
TotalMolweight	442.652
Molweight	442.652
MonoisotopicMass	440.97271
CLogP	3.0547
CLogS	-5.311
H Acceptors	8
H Donors	1
TotalSurfaceArea	287.5
Relative PSA	0.31388
PolarSurfaceArea	119.73
Druglikeness	-9.3715
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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

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