3-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]propanamide
Formula:C13H15N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]propanamide is a drug-like molecule.
| MolName | 3-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]propanamide |
| MolecularFormula | C13H15N5OS |
| Smiles | NC(CCn1c(cccc2)c2c(/C=N\NC(N)=S)c1)=O |
| InChI | InChI=1S/C13H15N5OS/c14-12(19)5-6-18-8-9(7-16-17-13(15)20)10-3-1-2-4-11(10)18/h1-4,7-8H,5-6H2,(H2,14,19)(H3,15,17,20) |
| InChIK | ZJEZPMQWFSYBPI-UHFFFAOYSA-N |
| TotalMolweight | 289.362 |
| Molweight | 289.362 |
| MonoisotopicMass | 289.09973 |
| CLogP | 0.7405 |
| CLogS | -2.912 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 228.3 |
| Relative PSA | 0.44424 |
| PolarSurfaceArea | 130.52 |
| Druglikeness | 4.7837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]propanamide | 2 - 3-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off