N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H14N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H14N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(Cc2cccc3ccccc23)=O)c1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O3/c20-18-9-8-16(23(25)26)10-15(18)12-21-22-19(24)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12H,11H2,(H,22,24) |
| InChIK | JEVZEVUVLZHGBG-UHFFFAOYSA-N |
| TotalMolweight | 367.791 |
| Molweight | 367.791 |
| MonoisotopicMass | 367.072369 |
| CLogP | 4.0785 |
| CLogS | -6.488 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.44 |
| Relative PSA | 0.24206 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75966 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off