4-chloro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline
Formula:C17H13N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-chloro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H13N2OClS |
| Smiles | Clc(cc1)ccc1N/N=C\c(scc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)20-19-12-17-16(10-11-22-17)21-15-4-2-1-3-5-15/h1-12,20H |
| InChIK | AVHNCQQZHSQXQP-UHFFFAOYSA-N |
| TotalMolweight | 328.822 |
| Molweight | 328.822 |
| MonoisotopicMass | 328.04371 |
| CLogP | 6.7091 |
| CLogS | -6.192 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.36 |
| Relative PSA | 0.21301 |
| PolarSurfaceArea | 61.86 |
| Druglikeness | 3.1685 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline | 2 - 4-chloro-N-[(Z)-(3-phenoxythiophen-2-yl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off