[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-thiophen-2-ylacetate

Formula:C14H13N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-thiophen-2-ylacetate
MolecularFormula	C14H13N3O4S
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(Cc1cccs1)=O
InChI	InChI=1S/C14H13N3O4S/c15-13(8-10-3-5-11(6-4-10)17(19)20)16-21-14(18)9-12-2-1-7-22-12/h1-7H,8-9H2,(H2,15,16)
InChIK	KEZHOXUIUNYIOY-UHFFFAOYSA-N
TotalMolweight	319.34
Molweight	319.34
MonoisotopicMass	319.062677
CLogP	2.0133
CLogS	-3.936
H Acceptors	7
H Donors	1
TotalSurfaceArea	239.39
Relative PSA	0.42023
PolarSurfaceArea	138.74
Druglikeness	-6.2854
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-thiophen-2-ylacetate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-thiophen-2-ylacetate

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