1-benzyl-3-[(Z)-(2-iodophenyl)methylideneamino]thiourea
Formula:C15H14N3IS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-(2-iodophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(2-iodophenyl)methylideneamino]thiourea |
| MolecularFormula | C15H14N3IS |
| Smiles | S=C(NCc1ccccc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C15H14IN3S/c16-14-9-5-4-8-13(14)11-18-19-15(20)17-10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,17,19,20) |
| InChIK | HMYAPMWFUPNSCZ-UHFFFAOYSA-N |
| TotalMolweight | 395.263 |
| Molweight | 395.263 |
| MonoisotopicMass | 394.995315 |
| CLogP | 3.7387 |
| CLogS | -5.153 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 253.45 |
| Relative PSA | 0.24632 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 3.1752 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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