N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide
Formula:C25H26N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide |
| MolecularFormula | C25H26N3O2 |
| Smiles | O=C(c1ccc(C[NH+]2CCOCC2)cc1)N/N=C\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C25H25N3O2/c29-25(21-6-4-18(5-7-21)17-28-12-14-30-15-13-28)27-26-16-22-11-10-20-9-8-19-2-1-3-23(22)24(19)20/h1-7,10-11,16H,8-9,12-15,17H2,(H,27,29)/p+1 |
| InChIK | HHDJQTKRMGILPL-UHFFFAOYSA-O |
| TotalMolweight | 400.5 |
| Molweight | 400.5 |
| MonoisotopicMass | 400.202502 |
| CLogP | 2.351 |
| CLogS | -5.46 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.25 |
| Relative PSA | 0.19554 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 0.95549 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off