N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline
Molecular Formula : C22H20N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline is a drug-like molecule.
MolName : N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline |
MolecularFormula : C22H20N2O2 |
Smiles : C(c1ccccc1)N(c1ccccc1)/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C22H20N2O2/c1-3-7-18(8-4-1)17-24(20-9-5-2-6-10-20)23-16-19-11-12-21-22(15-19)26-14-13-25-21/h1-12,15-16H,13-14,17H2 |
InChIK : NIGNNSUOKFZNFR-UHFFFAOYSA-N |
TotalMolweight : 344.413 |
Molweight : 344.413 |
MonoisotopicMass : 344.152478 |
CLogP : 4.9506 |
CLogS : -4.484 |
H Acceptors : 4 |
TotalSurfaceArea : 275.62 |
Relative PSA : 0.1272 |
PolarSurfaceArea : 34.06 |
Druglikeness : -3.5789 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
StereoCon : |