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

Formula:C14H12N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(2-nitrophenyl)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(2-nitrophenyl)acetate
MolecularFormula	C14H12N4O4
Smiles	N/C(/c1cnccc1)=N/OC(Cc(cccc1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C14H12N4O4/c15-14(11-5-3-7-16-9-11)17-22-13(19)8-10-4-1-2-6-12(10)18(20)21/h1-7,9H,8H2,(H2,15,17)
InChIK	ZNIFCGNLDPWOHO-UHFFFAOYSA-N
TotalMolweight	300.273
Molweight	300.273
MonoisotopicMass	300.085856
CLogP	1.1477
CLogS	-3.166
H Acceptors	8
H Donors	1
TotalSurfaceArea	228.45
Relative PSA	0.39926
PolarSurfaceArea	123.39
Druglikeness	-8.8495
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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