N-[(Z)-benzylideneamino]-4-chloroaniline
Formula:C13H11N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-benzylideneamino]-4-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-chloroaniline |
| MolecularFormula | C13H11N2Cl |
| Smiles | Clc(cc1)ccc1N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H11ClN2/c14-12-6-8-13(9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10,16H |
| InChIK | AKGWIUUTHDMBQU-UHFFFAOYSA-N |
| TotalMolweight | 230.697 |
| Molweight | 230.697 |
| MonoisotopicMass | 230.061075 |
| CLogP | 5.4469 |
| CLogS | -3.885 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 184.66 |
| Relative PSA | 0.12439 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-4-chloroaniline | 2 - N-[(Z)-benzylideneamino]-4-chloroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off