[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea
Formula:C20H18N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea |
| MolecularFormula | C20H18N4S |
| Smiles | NC(N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1)=S |
| InChI | InChI=1S/C20H18N4S/c21-20(25)23-22-15-16-11-13-19(14-12-16)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H3,21,23,25) |
| InChIK | BMMHXNUSOZQTDA-UHFFFAOYSA-N |
| TotalMolweight | 346.457 |
| Molweight | 346.457 |
| MonoisotopicMass | 346.125216 |
| CLogP | 4.1264 |
| CLogS | -7.074 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 280.53 |
| Relative PSA | 0.24878 |
| PolarSurfaceArea | 85.74 |
| Druglikeness | 3.0227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea | 2 - [(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off