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

Formula:C16H14N3O5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(2-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(2-chlorophenoxy)acetate
MolecularFormula	C16H14N3O5Cl
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(COc(cccc1)c1Cl)=O
InChI	InChI=1S/C16H14ClN3O5/c17-13-3-1-2-4-14(13)24-10-16(21)25-19-15(18)9-11-5-7-12(8-6-11)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIK	GZEMWDXGBKEILP-UHFFFAOYSA-N
TotalMolweight	363.756
Molweight	363.756
MonoisotopicMass	363.062199
CLogP	2.3295
CLogS	-4.477
H Acceptors	8
H Donors	1
TotalSurfaceArea	268.87
Relative PSA	0.33563
PolarSurfaceArea	119.73
Druglikeness	-7.5815
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.68
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	2
AcidicOxygens	1
StereoCon

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

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