[(Z)-(1-benzylindol-3-yl)methylideneamino]thiourea
Formula:C17H16N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-benzylindol-3-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(1-benzylindol-3-yl)methylideneamino]thiourea |
| MolecularFormula | C17H16N4S |
| Smiles | NC(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=S |
| InChI | InChI=1S/C17H16N4S/c18-17(22)20-19-10-14-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12H,11H2,(H3,18,20,22) |
| InChIK | AUASIIKQAZWDMU-UHFFFAOYSA-N |
| TotalMolweight | 308.408 |
| Molweight | 308.408 |
| MonoisotopicMass | 308.109566 |
| CLogP | 3.0617 |
| CLogS | -3.876 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 248.03 |
| Relative PSA | 0.29476 |
| PolarSurfaceArea | 87.43 |
| Druglikeness | 4.313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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