4-chloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
Formula:C15H13N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-chloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline |
| MolecularFormula | C15H13N6Cl |
| Smiles | Clc(cc1)ccc1N/N=C\Cc1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C15H13ClN6/c16-12-6-8-13(9-7-12)18-17-11-10-15-19-20-21-22(15)14-4-2-1-3-5-14/h1-9,11,18H,10H2 |
| InChIK | WLDAAJBSHCDQDT-UHFFFAOYSA-N |
| TotalMolweight | 312.763 |
| Molweight | 312.763 |
| MonoisotopicMass | 312.089021 |
| CLogP | 3.9222 |
| CLogS | -3.355 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 243.66 |
| Relative PSA | 0.25753 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 1.7815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline | 2 - 4-chloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off