[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(1,3-dioxoisoindol-2-yl)acetate

Formula:C16H12N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(1,3-dioxoisoindol-2-yl)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(1,3-dioxoisoindol-2-yl)acetate
MolecularFormula	C16H12N4O4
Smiles	N/C(/c1ncccc1)=N/OC(CN(C(c1c2cccc1)=O)C2=O)=O
InChI	InChI=1S/C16H12N4O4/c17-14(12-7-3-4-8-18-12)19-24-13(21)9-20-15(22)10-5-1-2-6-11(10)16(20)23/h1-8H,9H2,(H2,17,19)
InChIK	IUJZTCQTQMHQEL-UHFFFAOYSA-N
TotalMolweight	324.295
Molweight	324.295
MonoisotopicMass	324.085856
CLogP	1.1041
CLogS	-2.536
H Acceptors	8
H Donors	1
TotalSurfaceArea	237.08
Relative PSA	0.38139
PolarSurfaceArea	114.95
Druglikeness	-0.78919
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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