1-[(3-chlorophenyl)methyl]-3-[(Z)-thiophen-2-ylmethylideneamino]urea
Formula:C13H12N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(3-chlorophenyl)methyl]-3-[(Z)-thiophen-2-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-[(3-chlorophenyl)methyl]-3-[(Z)-thiophen-2-ylmethylideneamino]urea |
| MolecularFormula | C13H12N3OClS |
| Smiles | O=C(NCc1cccc(Cl)c1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H12ClN3OS/c14-11-4-1-3-10(7-11)8-15-13(18)17-16-9-12-5-2-6-19-12/h1-7,9H,8H2,(H2,15,17,18) |
| InChIK | UABASAKPAVHHLH-UHFFFAOYSA-N |
| TotalMolweight | 293.777 |
| Molweight | 293.777 |
| MonoisotopicMass | 293.038959 |
| CLogP | 3.3775 |
| CLogS | -4.799 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.57 |
| Relative PSA | 0.30339 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 5.9794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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