2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Molecular Formula : C17H17N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.
MolName : 2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
MolecularFormula : C17H17N3O3 |
Smiles : O=C(CNc1ccccc1)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H17N3O3/c21-17(12-18-14-4-2-1-3-5-14)20-19-11-13-6-7-15-16(10-13)23-9-8-22-15/h1-7,10-11,18H,8-9,12H2,(H,20,21) |
InChIK : VOOQHYHDUANLDB-UHFFFAOYSA-N |
TotalMolweight : 311.34 |
Molweight : 311.34 |
MonoisotopicMass : 311.126992 |
CLogP : 2.4723 |
CLogS : -3.725 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 246.23 |
Relative PSA : 0.27401 |
PolarSurfaceArea : 71.95 |
Druglikeness : -2.214 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |