[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate

Formula:C19H16N4O6 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate is a drug-like molecule.

MolName	[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(1,3-dioxoisoindol-2-yl)butanoate
MolecularFormula	C19H16N4O6
Smiles	N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(CCCN(C(c1c2cccc1)=O)C2=O)=O
InChI	InChI=1S/C19H16N4O6/c20-17(12-7-9-13(10-8-12)23(27)28)21-29-16(24)6-3-11-22-18(25)14-4-1-2-5-15(14)19(22)26/h1-2,4-5,7-10H,3,6,11H2,(H2,20,21)
InChIK	KELXLODNCANBRK-UHFFFAOYSA-N
TotalMolweight	396.358
Molweight	396.358
MonoisotopicMass	396.106986
CLogP	2.0382
CLogS	-4.307
H Acceptors	10
H Donors	1
TotalSurfaceArea	289.51
Relative PSA	0.3795
PolarSurfaceArea	147.88
Druglikeness	-7.3082
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	7
Amides	1
AcidicOxygens	1
StereoCon

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