[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
Formula:C12H16N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea |
| MolecularFormula | C12H16N4S |
| Smiles | NC(N/N=C\c(cc1)ccc1N1CCCC1)=S |
| InChI | InChI=1S/C12H16N4S/c13-12(17)15-14-9-10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H3,13,15,17) |
| InChIK | AHMCAMFTTZJPKF-UHFFFAOYSA-N |
| TotalMolweight | 248.353 |
| Molweight | 248.353 |
| MonoisotopicMass | 248.109566 |
| CLogP | 2.023 |
| CLogS | -3.62 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 202.55 |
| Relative PSA | 0.34456 |
| PolarSurfaceArea | 85.74 |
| Druglikeness | 4.1566 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea | 2 - [(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off