4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
Molecular Formula : C16H15N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide |
MolecularFormula : C16H15N3O3 |
Smiles : Nc(cc1)ccc1C(N/N=C\c(cc1)cc2c1OCCO2)=O |
InChI : InChI=1S/C16H15N3O3/c17-13-4-2-12(3-5-13)16(20)19-18-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8,17H2,(H,19,20) |
InChIK : LQAOHTRKYFCYJT-UHFFFAOYSA-N |
TotalMolweight : 297.313 |
Molweight : 297.313 |
MonoisotopicMass : 297.111342 |
CLogP : 2.5031 |
CLogS : -3.979 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 229.53 |
Relative PSA : 0.31055 |
PolarSurfaceArea : 85.94 |
Druglikeness : -2.9031 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |