N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular Formula : C16H14N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
MolName : N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
MolecularFormula : C16H14N2O3 |
Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccccc1 |
InChI : InChI=1S/C16H14N2O3/c19-16(18-17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)21-9-8-20-14/h1-7,10-11H,8-9H2,(H,18,19) |
InChIK : AFPPKWFTXTVDFN-UHFFFAOYSA-N |
TotalMolweight : 282.298 |
Molweight : 282.298 |
MonoisotopicMass : 282.100443 |
CLogP : 3.1804 |
CLogS : -3.903 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 221.01 |
Relative PSA : 0.25343 |
PolarSurfaceArea : 59.92 |
Druglikeness : -2.8595 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
StereoCon : |