1-[(Z)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)thiourea
Formula:C14H11N3BrFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)thiourea |
| MolecularFormula | C14H11N3BrFS |
| Smiles | Fc(cccc1)c1NC(N/N=C\c(cccc1)c1Br)=S |
| InChI | InChI=1S/C14H11BrFN3S/c15-11-6-2-1-5-10(11)9-17-19-14(20)18-13-8-4-3-7-12(13)16/h1-9H,(H2,18,19,20) |
| InChIK | ITXAOUGARQFJLP-UHFFFAOYSA-N |
| TotalMolweight | 352.23 |
| Molweight | 352.23 |
| MonoisotopicMass | 350.984106 |
| CLogP | 4.4182 |
| CLogS | -5.469 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 238.39 |
| Relative PSA | 0.26188 |
| 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 | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)thiourea | 2 - 1-[(Z)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off