N-[(Z)-anthracen-9-ylmethylideneamino]-5-nitropyridine-2-carboxamide
Formula:C21H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-5-nitropyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-5-nitropyridine-2-carboxamide |
| MolecularFormula | C21H14N4O3 |
| Smiles | [O-][N+](c(cc1)cnc1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)=O |
| InChI | InChI=1S/C21H14N4O3/c26-21(20-10-9-16(12-22-20)25(27)28)24-23-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,24,26) |
| InChIK | ZILHKYLWWBDFCG-UHFFFAOYSA-N |
| TotalMolweight | 370.367 |
| Molweight | 370.367 |
| MonoisotopicMass | 370.106591 |
| CLogP | 3.7219 |
| CLogS | -6.622 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.62 |
| Relative PSA | 0.2778 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.75305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-5-nitropyridine-2-carboxamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-5-nitropyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off