1-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-difluorophenyl)thiourea
Formula:C14H10N3BrF2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-difluorophenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-difluorophenyl)thiourea |
| MolecularFormula | C14H10N3BrF2S |
| Smiles | Fc(cc1)cc(F)c1NC(N/N=C\c1cccc(Br)c1)=S |
| InChI | InChI=1S/C14H10BrF2N3S/c15-10-3-1-2-9(6-10)8-18-20-14(21)19-13-5-4-11(16)7-12(13)17/h1-8H,(H2,19,20,21) |
| InChIK | QKFVJCKTJYUPAW-UHFFFAOYSA-N |
| TotalMolweight | 370.22 |
| Molweight | 370.22 |
| MonoisotopicMass | 368.974684 |
| CLogP | 4.519 |
| CLogS | -5.783 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 244.74 |
| Relative PSA | 0.25509 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -0.8975 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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