[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-nitrophenoxy)acetate

Formula:C14H12N4O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-nitrophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-nitrophenoxy)acetate
MolecularFormula	C14H12N4O5
Smiles	N/C(/c1cnccc1)=N/OC(COc(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C14H12N4O5/c15-14(10-2-1-7-16-8-10)17-23-13(19)9-22-12-5-3-11(4-6-12)18(20)21/h1-8H,9H2,(H2,15,17)
InChIK	UWFOZZLLNOXJPR-UHFFFAOYSA-N
TotalMolweight	316.272
Molweight	316.272
MonoisotopicMass	316.080771
CLogP	0.7245
CLogS	-2.981
H Acceptors	9
H Donors	1
TotalSurfaceArea	238.45
Relative PSA	0.42445
PolarSurfaceArea	132.62
Druglikeness	-7.6593
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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