[(E)-[amino(pyridin-4-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate

Formula:C17H14N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-4-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate
MolecularFormula	C17H14N4O4
Smiles	N/C(/c1ccncc1)=N/OC(CCN(C(c1c2cccc1)=O)C2=O)=O
InChI	InChI=1S/C17H14N4O4/c18-15(11-5-8-19-9-6-11)20-25-14(22)7-10-21-16(23)12-3-1-2-4-13(12)17(21)24/h1-6,8-9H,7,10H2,(H2,18,20)
InChIK	UMGXPXIUXUQKOT-UHFFFAOYSA-N
TotalMolweight	338.322
Molweight	338.322
MonoisotopicMass	338.101506
CLogP	1.5045
CLogS	-2.782
H Acceptors	8
H Donors	1
TotalSurfaceArea	250.84
Relative PSA	0.36047
PolarSurfaceArea	114.95
Druglikeness	-0.275
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

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