[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
Formula:C15H13N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea |
| MolecularFormula | C15H13N3OClFS |
| Smiles | NC(N/N=C\c(cc1)ccc1OCc(c(F)ccc1)c1Cl)=S |
| InChI | InChI=1S/C15H13ClFN3OS/c16-13-2-1-3-14(17)12(13)9-21-11-6-4-10(5-7-11)8-19-20-15(18)22/h1-8H,9H2,(H3,18,20,22) |
| InChIK | YCDXYRBUDRHLPC-UHFFFAOYSA-N |
| TotalMolweight | 337.805 |
| Molweight | 337.805 |
| MonoisotopicMass | 337.045187 |
| CLogP | 3.5869 |
| CLogS | -5.289 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256 |
| Relative PSA | 0.29781 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 0.521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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