[(E)-[(2-aminophenyl)-phenylmethylidene]amino]thiourea
Formula:C14H14N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(2-aminophenyl)-phenylmethylidene]amino]thiourea is a drug-like molecule.
| MolName | [(E)-[(2-aminophenyl)-phenylmethylidene]amino]thiourea |
| MolecularFormula | C14H14N4S |
| Smiles | NC(N/N=C(\c1ccccc1)/c(cccc1)c1N)=S |
| InChI | InChI=1S/C14H14N4S/c15-12-9-5-4-8-11(12)13(17-18-14(16)19)10-6-2-1-3-7-10/h1-9H,15H2,(H3,16,18,19) |
| InChIK | XQOBSDQOAOJSGJ-UHFFFAOYSA-N |
| TotalMolweight | 270.359 |
| Molweight | 270.359 |
| MonoisotopicMass | 270.093916 |
| CLogP | 2.0514 |
| CLogS | -4.75 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 217.2 |
| Relative PSA | 0.37528 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | 1.3448 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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