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

Formula:C16H14N3O4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate
MolecularFormula	C16H14N3O4Cl
Smiles	N/C(/Cc(cc1)ccc1Cl)=N/OC(Cc(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C16H14ClN3O4/c17-13-5-1-11(2-6-13)9-15(18)19-24-16(21)10-12-3-7-14(8-4-12)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIK	TUGOZMRZIJMWAB-UHFFFAOYSA-N
TotalMolweight	347.757
Molweight	347.757
MonoisotopicMass	347.067284
CLogP	2.7527
CLogS	-4.662
H Acceptors	7
H Donors	1
TotalSurfaceArea	258.87
Relative PSA	0.30996
PolarSurfaceArea	110.5
Druglikeness	-8.7447
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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

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