N-[(Z)-anthracen-9-ylmethylideneamino]-2-nitrobenzamide
Formula:C22H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-nitrobenzamide |
| MolecularFormula | C22H15N3O3 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)=O |
| InChI | InChI=1S/C22H15N3O3/c26-22(19-11-5-6-12-21(19)25(27)28)24-23-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,24,26) |
| InChIK | PULZAYFNTKTRME-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.111342 |
| CLogP | 4.6688 |
| CLogS | -7.393 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.86 |
| Relative PSA | 0.23737 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-nitrobenzamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off