N-[(Z)-(4-chlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine
Formula:C18H13N6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(4-chlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine |
| MolecularFormula | C18H13N6Cl |
| Smiles | Clc1ccc(/C=N\Nc2nnnn2-c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C18H13ClN6/c19-15-10-8-13(9-11-15)12-20-21-18-22-23-24-25(18)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22,24) |
| InChIK | XONLFJXNDNIQCR-UHFFFAOYSA-N |
| TotalMolweight | 348.796 |
| Molweight | 348.796 |
| MonoisotopicMass | 348.089021 |
| CLogP | 5.9094 |
| CLogS | -6.061 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.5 |
| Relative PSA | 0.23724 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.2373 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off