N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
Formula:C22H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C22H15N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2cccc3ccccc23)=O)o1)=O |
| InChI | InChI=1S/C22H15N3O4/c26-22(20-7-3-5-15-4-1-2-6-19(15)20)24-23-14-18-12-13-21(29-18)16-8-10-17(11-9-16)25(27)28/h1-14H,(H,24,26) |
| InChIK | HGEHXUDDGLPCBU-UHFFFAOYSA-N |
| TotalMolweight | 385.378 |
| Molweight | 385.378 |
| MonoisotopicMass | 385.106257 |
| CLogP | 4.4133 |
| CLogS | -7.247 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.71 |
| Relative PSA | 0.27329 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.38 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide | 2 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off