1-benzyl-3-[(Z)-benzylideneamino]thiourea
Formula:C15H15N3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-benzylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-benzylideneamino]thiourea |
| MolecularFormula | C15H15N3S |
| Smiles | S=C(NCc1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H15N3S/c19-15(16-11-13-7-3-1-4-8-13)18-17-12-14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,16,18,19) |
| InChIK | PRHQWJLKGCVRIN-UHFFFAOYSA-N |
| TotalMolweight | 269.371 |
| Molweight | 269.371 |
| MonoisotopicMass | 269.098667 |
| CLogP | 3.3016 |
| CLogS | -4.137 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 227.17 |
| Relative PSA | 0.27482 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 2.6555 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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