N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acridin-9-amine
Formula:C21H15N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acridin-9-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acridin-9-amine |
| MolecularFormula | C21H15N3O2 |
| Smiles | C1Oc(cc(/C=N\Nc2c(cccc3)c3nc3ccccc23)cc2)c2O1 |
| InChI | InChI=1S/C21H15N3O2/c1-3-7-17-15(5-1)21(16-6-2-4-8-18(16)23-17)24-22-12-14-9-10-19-20(11-14)26-13-25-19/h1-12H,13H2,(H,23,24) |
| InChIK | METGKBQCCAPKBM-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 6.5852 |
| CLogS | -6.067 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.46 |
| Relative PSA | 0.20951 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9109 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acridin-9-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acridin-9-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off