(1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-(4-fluorophenyl)thiourea
Formula:C15H12N3OCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-(4-fluorophenyl)thiourea is a drug-like molecule.
| MolName | (1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-(4-fluorophenyl)thiourea |
| MolecularFormula | C15H12N3OCl2FS |
| Smiles | Fc(cc1)ccc1NC(/N=C\NOCc(ccc(Cl)c1)c1Cl)=S |
| InChI | InChI=1S/C15H12Cl2FN3OS/c16-11-2-1-10(14(17)7-11)8-22-20-9-19-15(23)21-13-5-3-12(18)4-6-13/h1-7,9H,8H2,(H2,19,20,21,23) |
| InChIK | IRMCUPKGRJMYAI-UHFFFAOYSA-N |
| TotalMolweight | 372.25 |
| Molweight | 372.25 |
| MonoisotopicMass | 371.006214 |
| CLogP | 3.7674 |
| CLogS | -6.124 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 274.36 |
| Relative PSA | 0.264 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -1.56 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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