1-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazol-5-amine
Formula:C18H13N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
1-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C18H13N7O2 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nnnn2-c2cccc3ccccc23)ccc1)=O |
| InChI | InChI=1S/C18H13N7O2/c26-25(27)15-8-3-5-13(11-15)12-19-20-18-21-22-23-24(18)17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,20,21,23) |
| InChIK | QWYXYPGPBJPHIP-UHFFFAOYSA-N |
| TotalMolweight | 359.348 |
| Molweight | 359.348 |
| MonoisotopicMass | 359.113073 |
| CLogP | 4.3818 |
| CLogS | -5.785 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 272.75 |
| Relative PSA | 0.34159 |
| PolarSurfaceArea | 113.81 |
| Druglikeness | -3.1716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazol-5-amine | 2 - 1-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off