1-benzyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea
Formula:C15H15N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C15H15N3OS |
| Smiles | Oc1cccc(/C=N\NC(NCc2ccccc2)=S)c1 |
| InChI | InChI=1S/C15H15N3OS/c19-14-8-4-7-13(9-14)11-17-18-15(20)16-10-12-5-2-1-3-6-12/h1-9,11,19H,10H2,(H2,16,18,20) |
| InChIK | LEUSSOKCJPPUST-UHFFFAOYSA-N |
| TotalMolweight | 285.37 |
| Molweight | 285.37 |
| MonoisotopicMass | 285.093582 |
| CLogP | 2.9559 |
| CLogS | -3.841 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 233.52 |
| Relative PSA | 0.32344 |
| PolarSurfaceArea | 88.74 |
| Druglikeness | 2.5714 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-benzyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea | 2 - 1-benzyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off