2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione
Molecular Formula : C17H12N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione is a drug-like molecule.
MolName : 2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione |
MolecularFormula : C17H12N2O4 |
Smiles : O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H12N2O4/c20-16-12-3-1-2-4-13(12)17(21)19(16)18-10-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2 |
InChIK : NRDIGNPRIGNBGC-UHFFFAOYSA-N |
TotalMolweight : 308.292 |
Molweight : 308.292 |
MonoisotopicMass : 308.079708 |
CLogP : 2.6305 |
CLogS : -3.764 |
H Acceptors : 6 |
TotalSurfaceArea : 224.1 |
Relative PSA : 0.27282 |
PolarSurfaceArea : 68.2 |
Druglikeness : -3.4928 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.56522 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 5 |
StereoCon : |