[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiourea
Formula:C18H15N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiourea |
| MolecularFormula | C18H15N5S |
| Smiles | NC(N/N=C\c1cn(Cc(cccc2)c2C#N)c2c1cccc2)=S |
| InChI | InChI=1S/C18H15N5S/c19-9-13-5-1-2-6-14(13)11-23-12-15(10-21-22-18(20)24)16-7-3-4-8-17(16)23/h1-8,10,12H,11H2,(H3,20,22,24) |
| InChIK | HVMGJFDCGNKHAW-UHFFFAOYSA-N |
| TotalMolweight | 333.418 |
| Molweight | 333.418 |
| MonoisotopicMass | 333.104815 |
| CLogP | 2.8973 |
| CLogS | -4.649 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.74 |
| Relative PSA | 0.32131 |
| PolarSurfaceArea | 111.22 |
| Druglikeness | 0.033002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiourea | 2 - [(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off