N-[(Z)-anthracen-9-ylmethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Formula:C29H20N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C29H20N4O |
| Smiles | O=C(c1cc(-c2cc3ccccc3cc2)n[nH]1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C29H20N4O/c34-29(28-17-27(31-32-28)23-14-13-19-7-1-2-8-20(19)15-23)33-30-18-26-24-11-5-3-9-21(24)16-22-10-4-6-12-25(22)26/h1-18H,(H,31,32)(H,33,34) |
| InChIK | UDAPTDKUBLSQGP-UHFFFAOYSA-N |
| TotalMolweight | 440.505 |
| Molweight | 440.505 |
| MonoisotopicMass | 440.163711 |
| CLogP | 6.4826 |
| CLogS | -8.914 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 338.88 |
| Relative PSA | 0.17992 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6321 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off