2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-8-nitroquinoline
Molecular Formula : C19H14N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-8-nitroquinoline is a drug-like molecule.
MolName : 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-8-nitroquinoline |
MolecularFormula : C19H14N2O4 |
Smiles : [O-][N+](c1cccc2ccc(/C=C/c(cc3)cc4c3OCCO4)nc12)=O |
InChI : InChI=1S/C19H14N2O4/c22-21(23)16-3-1-2-14-6-8-15(20-19(14)16)7-4-13-5-9-17-18(12-13)25-11-10-24-17/h1-9,12H,10-11H2 |
InChIK : QTDRQRMANFWRBC-UHFFFAOYSA-N |
TotalMolweight : 334.33 |
Molweight : 334.33 |
MonoisotopicMass : 334.095358 |
CLogP : 3.2938 |
CLogS : -5.124 |
H Acceptors : 6 |
TotalSurfaceArea : 250.57 |
Relative PSA : 0.245 |
PolarSurfaceArea : 77.17 |
Druglikeness : -13.62 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 5 |
Aromatic Nitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |